A0A075BJU9_DROME Loading...

Piwi

AlphaFold DB , UniProt , Accession A0A075BJU9, Species DROME (Drosophila melanogaster, Fruit fly), Gene piwi, Length 843 aa.

						>A0A075BJU9_DROME|A0A075BJU9|piwi
MADDQGRGRRRPLNEDDSSTSRGSGDGPRVKVFRGSSSGDPRADPRIEASRERGALEEAPRREGGPPERKPWGDQYDYLNTRPVELVSKKGTDGVPVMLQTNFFRLKTKPEWRIVHYHVEFVPTIENPRVRMGVLSNHANLLGSGYLFDGLQLFTTRKFEQEITVLSGKSKLDIEYKISIKFVGFISCAEPRFLQVLNLILRRSMKGLNLELVGRNLFDPRAKIEIREFKMELWPGYETSIRQHEKDILLGTEITHKVMRTETIYDIMRRCSHNPARHQDEVRVNVLDLIVLTDYNNRTYRINDVDFGQTPKSTFSCKGRDISFVEYYLTKYNIRIRDHNQPLLISKNRDKAQKTNASELVVLIPELCRVTGLNAEMRSNFQLMRAMSSYTRMNPKQRTDRLRAFNHRLQNTPESVKVLRDWNMELDKNVTEVQGRIIGQQNIVFHNGKVPAGENADWQRHFRDQRMLTTPSDGLDRWAVIAPQRNSHELRTLLDSLYRAASGMGLRIRSPQEFIIYDDRTGTYVRAMDDCVRSDPKLILCLVPNDNAERYSSIKKRGYVDRAVPTQVVTLKTTKNRSLMSIATKIAIQLNCKLGYTPWMIELPLSGLMTIGFDIAKSTRDRKRAYGALIASMDLQQNSTYFSTVTECSAFDVLANTLWPMIAKALRQYQHEHRKLPSRIVFYRDGVSSGSLKQLFEFEVKDIIEKLKTEYARVQLSPPQLAYIVVTRSMNTRFFLNGQNPPPGTIVDDVITLPERYDFYLVSQQVRQGTVSPTSYNVLYSSMGLSPEKMQKLTYKMCHLYYNWSGTTRVPAVCQYAKKLATLVGTNLHSIPQNALEKKFYYL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.1	Very low	31.4	Very low	243 Å²	243	173 Å²	173	100%	1.197	86%	0.855	S	S	*	*				0	112.7	0	-77.9	176.6	177.9	0	0	106.9
2	A	30.3	Very low	32.5	Very low	85 Å²	85	167.3 Å²	167.3	70%	0.702	84%	0.84	S	S	*	*			trans	25.4	147.3	144.4	0	0	0	0	0	119.7
3	D	31.5	Very low	32.2	Very low	149 Å²	149	165.1 Å²	165.1	80%	0.797	83%	0.831	S	S	*	*			cis	-169.6	140.6	-2.9	-100.9	-26.8	0	0	0	106.9
4	D	34.5	Very low	31.9	Very low	127 Å²	127	162.2 Å²	162.2	68%	0.679	82%	0.819	S	S	*	*				43.1	145.6	123.3	-132.3	3.8	0	0	0	126.3
5	Q	34	Very low	31.8	Very low	173 Å²	173	160.7 Å²	160.7	81%	0.808	81%	0.808	S	S	*	*			trans	78.1	134	143	-88.1	172.8	54.9	0	0	124.3
6	G	29.1	Very low	31.7	Very low	75 Å²	75	158.6 Å²	158.6	77%	0.773	80%	0.8	S	S	*	*				141.2	76.7	125.7	0	0	0	0	0	121.6
7	R	31	Very low	31.6	Very low	256 Å²	256	157.2 Å²	157.2	97%	0.966	80%	0.796	S	S	*	*			trans	9.3	146.6	140.1	-66.7	175.7	172.3	179.8	-1.2	122.9
8	G	27.4	Very low	31.4	Very low	73 Å²	73	153.9 Å²	153.9	75%	0.753	79%	0.789	S	S	*	*			trans	126.4	101.8	130.6	0	0	0	0	0	117.1
9	R	30.4	Very low	31.3	Very low	243 Å²	243	151.1 Å²	151.1	92%	0.917	79%	0.785	S	S	*	*				51.3	113.5	95.6	-88.6	-170.4	176.7	-178	-0.5	116.7
10	R	28.2	Very low	31.2	Very low	245 Å²	245	149.9 Å²	149.9	93%	0.925	78%	0.784	S	S	*	*				163.1	128.8	114	-94.2	178.6	175.4	177.2	-1.3	113.3
11	R	35.9	Very low	31.1	Very low	234 Å²	234	148 Å²	148	88%	0.883	78%	0.784	S	S	*	*			trans	-62.5	161.2	147.5	-94.1	-176.8	-176.4	-176.1	0.3	109.1
12	P	44	Very low	30.9	Very low	105 Å²	105	148.6 Å²	148.6	68%	0.682	77%	0.773	S	S	*	*				-164.5	177.8	68.7	44	-21.3	0	0	0	120.2
13	L	28.8	Very low	30.8	Very low	138 Å²	138	148.5 Å²	148.5	72%	0.723	78%	0.78	S	S	*	*			trans	71.4	118.4	147.8	-71.3	150.7	0	0	0	118.6
14	N	28.4	Very low	30.6	Very low	125 Å²	125	147.6 Å²	147.6	67%	0.668	79%	0.785	S	S	*	*				72.2	139.4	77.2	-84.2	24.8	0	0	0	110.6
15	E	30.2	Very low	30.3	Very low	139 Å²	139	145.3 Å²	145.3	65%	0.65	79%	0.791	S	S	*	*			cis	-174.9	152.4	35.4	-120.6	155.2	-148.4	0	0	108.7
16	D	30	Very low	30	Very low	128 Å²	128	145.2 Å²	145.2	68%	0.684	80%	0.797	S	S	*	*			trans	59	156.3	130.2	-64.3	2.6	0	0	0	121.3
17	D	30.4	Very low	30	Very low	135 Å²	135	144.4 Å²	144.4	72%	0.722	79%	0.788	S	S	*	*			cis	-170.2	153.4	-14.1	-118.4	-25.1	0	0	0	101.9
18	S	28.2	Very low	30.2	Very low	97 Å²	97	138.7 Å²	138.7	68%	0.678	78%	0.784	S	S	*	*				165.6	127	84.2	43.6	0	0	0	0	107.2
19	S	29.3	Very low	30.2	Very low	101 Å²	101	146.2 Å²	146.2	71%	0.706	79%	0.79	S	S	*	*				80.2	142.3	110.2	92.9	0	0	0	0	114.8
20	T	30.1	Very low	30.1	Very low	126 Å²	126	139.7 Å²	139.7	77%	0.773	78%	0.777	S	S	*	*			cis	-167.9	163.9	22.6	6.9	0	0	0	0	111.6
21	S	28.1	Very low	30.2	Very low	110 Å²	110	137.2 Å²	137.2	77%	0.769	77%	0.773	S	S	*	*			trans	83.9	106.8	161	76	0	0	0	0	117.6
22	R	29.4	Very low	29.8	Very low	257 Å²	257	133 Å²	133	97%	0.97	77%	0.773	S	S	*	*				87	117.1	55.7	-79.9	-170.6	177.7	-179.4	1.2	113.1
23	G	27.9	Very low	28.8	Very low	82 Å²	82	136.1 Å²	136.1	85%	0.845	78%	0.776	S	S	*	*			trans	159.3	74.5	167.2	0	0	0	0	0	112.9
24	S	27.3	Very low	28.7	Very low	130 Å²	130	140.7 Å²	140.7	91%	0.909	78%	0.783	S	S	*	*			trans	-62.4	125	-175	43.5	0	0	0	0	115.2
25	G	27.4	Very low	28.5	Very low	79 Å²	79	138 Å²	138	81%	0.814	79%	0.785	S	S	*	*			trans	-130.1	104.3	156.2	0	0	0	0	0	108.2
26	D	29.3	Very low	28.3	Very low	172 Å²	172	137.1 Å²	137.1	92%	0.92	79%	0.794	S	S	*	*			trans	-143.5	131.8	164.9	-159.7	12.3	0	0	0	110.5
27	G	27.7	Very low	28.2	Very low	58 Å²	58	136.1 Å²	136.1	60%	0.598	80%	0.797	S	S	*	*			trans	165.9	149	167.8	0	0	0	0	0	110.8
28	P	35.4	Very low	28	Very low	135 Å²	135	135.5 Å²	135.5	88%	0.877	80%	0.804	S	S	*	*			cis	-133.1	150.1	7.5	29.1	-7	0	0	0	116.4
29	R	28.4	Very low	27.9	Very low	231 Å²	231	134.7 Å²	134.7	87%	0.872	81%	0.811	S	S	*	*			trans	-85.9	146.4	158.3	-98	-177.4	173.4	-178.6	0	110.3
30	V	28.3	Very low	27.9	Very low	106 Å²	106	137.3 Å²	137.3	64%	0.642	82%	0.817	S	S	*	*				76	128.3	128.6	177.9	0	0	0	0	120.9
31	K	29.8	Very low	28.7	Very low	194 Å²	194	135.5 Å²	135.5	84%	0.843	81%	0.807	S	S	*	*			trans	66.8	147.3	152.3	-77.9	166.5	-172	-177.5	0	118.4
32	V	26.3	Very low	28.7	Very low	145 Å²	145	141.4 Å²	141.4	88%	0.879	81%	0.813	S	S	*	*				-165.4	145.4	117	152.3	0	0	0	0	110
33	F	24.1	Very low	28.5	Very low	171 Å²	171	134 Å²	134	75%	0.75	81%	0.806	S	S	*	*			trans	-108.7	146.6	179	-141.6	-96.6	0	0	0	107.5
34	R	26.5	Very low	28.5	Very low	233 Å²	233	137 Å²	137	88%	0.879	80%	0.803	S	S	*	*			trans	47.9	134.8	155.7	-79.4	-177.8	179.7	-172.9	-1.6	121.9
35	G	24.2	Very low	29.2	Very low	69 Å²	69	135.9 Å²	135.9	71%	0.711	79%	0.792	S	S	*	*			trans	135.6	114.9	131.8	0	0	0	0	0	117.5
36	S	26.5	Very low	29.2	Very low	120 Å²	120	142 Å²	142	84%	0.839	79%	0.791	S	S	*	*			trans	1.3	145.6	144.7	55.2	0	0	0	0	118.5
37	S	27.4	Very low	29.2	Very low	107 Å²	107	141.4 Å²	141.4	75%	0.748	79%	0.786	S	S	*	*			cis	179.3	156.6	43	45.3	0	0	0	0	109.4
38	S	27.3	Very low	29.1	Very low	123 Å²	123	146.6 Å²	146.6	86%	0.86	80%	0.795	S	S	*	*			trans	142.7	134.6	132.7	61.8	0	0	0	0	114.4
39	G	25.3	Very low	28.6	Very low	79 Å²	79	145.2 Å²	145.2	81%	0.814	80%	0.795	S	S	*	*			trans	104.6	82.1	143.2	0	0	0	0	0	119.3
40	D	28.8	Very low	28.5	Very low	156 Å²	156	139 Å²	139	83%	0.834	79%	0.787	S	S	*	*			trans	-65.5	173.5	148.4	-142.5	17.8	0	0	0	109.3
41	P	47.1	Very low	28.4	Very low	89 Å²	89	143.9 Å²	143.9	58%	0.578	79%	0.794	S	S	*	*			cis	-149.7	-177.8	13.6	43.3	-21.2	0	0	0	118.2
42	R	27.4	Very low	28.2	Very low	234 Å²	234	142 Å²	142	88%	0.883	79%	0.788	S	S	*	*			trans	105.6	124.9	142.9	-75.4	170	-173.4	-169.2	1.1	121.2
43	A	26.3	Very low	28.2	Very low	101 Å²	101	147.2 Å²	147.2	84%	0.835	79%	0.792	S	S	*	*			trans	104.6	91.6	133.5	0	0	0	0	0	118.6
44	D	28.3	Very low	28.2	Very low	146 Å²	146	142.9 Å²	142.9	78%	0.781	80%	0.796	S	S	*	*			trans	-71.4	159.4	147.2	-146.1	-6.6	0	0	0	109.1	R46	D44-R46 PolarHBondContact OD1-N 3.43Å
45	P	42.3	Very low	28.2	Very low	105 Å²	105	136.3 Å²	136.3	68%	0.682	79%	0.791	S	S	*	*				-154.4	148.7	74.7	35.6	-12.9	0	0	0	119.1
46	R	27.2	Very low	28.2	Very low	207 Å²	207	140.3 Å²	140.3	78%	0.781	80%	0.795	S	S	*	*				70.9	129.4	127.9	-68	174.9	-179.4	-169.8	-2	122	D44	D44-R46 PolarHBondContact OD1-N 3.43Å
47	I	27.8	Very low	28	Very low	160 Å²	160	142.9 Å²	142.9	82%	0.821	79%	0.794	S	S	*	*				-177.6	104.4	99.6	-81.2	158	0	0	0	106.4
48	E	25.8	Very low	28.2	Very low	168 Å²	168	147.5 Å²	147.5	79%	0.785	80%	0.804	S	S	*	*				67.7	110.3	87.8	-97.9	-176.4	-169.7	0	0	117
49	A	24.7	Very low	28	Very low	106 Å²	106	146 Å²	146	88%	0.876	80%	0.799	S	S	*	*			trans	-158.7	118.2	133	0	0	0	0	0	111.8
50	S	26.4	Very low	28	Very low	101 Å²	101	148 Å²	148	71%	0.706	80%	0.797	S	S	*	*			trans	-59.9	168.9	173.8	10.1	0	0	0	0	114.3
51	R	27.9	Very low	27.8	Very low	208 Å²	208	152.3 Å²	152.3	79%	0.785	80%	0.802	S	S	*	*			cis	-169.8	159.5	19.8	-124.1	163.6	-176.1	-140.5	14.9	111.7
52	E	25.1	Very low	26.8	Very low	154 Å²	154	159.6 Å²	159.6	72%	0.72	82%	0.818	S	S	*	*			trans	89	114.2	141.6	-82.9	159.8	-145.4	0	0	123.1
53	R	26.8	Very low	26.7	Very low	254 Å²	254	157.8 Å²	157.8	96%	0.958	82%	0.82	S	S	*	*			trans	-88.6	145.5	159.9	-69.4	179.7	-176.5	-168.1	0.8	109.4
54	G	22.9	Very low	26.6	Very low	81 Å²	81	156.5 Å²	156.5	84%	0.835	82%	0.816	S	S	*	*			trans	-128.2	122.1	152.3	0	0	0	0	0	108.9
55	A	26.4	Very low	26.5	Very low	94 Å²	94	152.4 Å²	152.4	78%	0.777	81%	0.808	S	S	*	*			trans	-79.6	151.4	167.9	0	0	0	0	0	109.6
56	L	24.2	Very low	25.7	Very low	153 Å²	153	153.2 Å²	153.2	80%	0.801	81%	0.814	S	S	*	*			trans	-174.8	131.3	142.4	-95.5	151.5	0	0	0	111.5
57	E	23.3	Very low	25.7	Very low	175 Å²	175	149.3 Å²	149.3	82%	0.818	82%	0.815	S	S	*	*			trans	73.1	112.3	144	-75.4	170.7	178.2	0	0	122.9
58	E	31.1	Very low	25.6	Very low	204 Å²	204	150.4 Å²	150.4	95%	0.953	82%	0.817	S	S	*	*			trans	-63.9	131.3	158	-72.1	-178.6	132.6	0	0	111.4
59	A	23.7	Very low	25.5	Very low	91 Å²	91	153.4 Å²	153.4	75%	0.752	82%	0.821	S	S	*	*			trans	-116.6	153.4	170.6	0	0	0	0	0	110.8
60	P	24.4	Very low	25.5	Very low	121 Å²	121	157.7 Å²	157.7	79%	0.786	82%	0.82	S	S	*	*			trans	-82.6	146	-147.2	29.7	-30.5	0	0	0	114.1	R62	P60-R62 PolarHBondContact O-N 2.82Å; P60-R62 VanDerWaalsContact O-N 3.13Å
61	R	25.3	Very low	25.5	Very low	246 Å²	246	157.4 Å²	157.4	93%	0.928	82%	0.816	S	S	*	*			trans	-58	111.8	170.3	-71.2	178.8	176.3	178.7	0	109.6	E63	R61-E63 PolarHBondContact O-N 2.91Å
62	R	25.3	Very low	25.5	Very low	243 Å²	243	158.5 Å²	158.5	92%	0.917	82%	0.82	S	S	*	*			trans	-64.1	113.9	164	-79.2	-178.1	172.6	179.2	-2.2	108.7	P60 G64	P60-R62 PolarHBondContact O-N 2.82Å; P60-R62 VanDerWaalsContact O-N 3.13Å; R62-G64 PolarHBondContact O-N 2.8Å
63	E	24.7	Very low	25.7	Very low	196 Å²	196	153 Å²	153	92%	0.916	80%	0.804	S	S	*	*			trans	-57.6	103.7	163.8	-72.4	-175.2	150.2	0	0	108.9	R61 G65	R61-E63 PolarHBondContact O-N 2.91Å; E63-G65 PolarHBondContact O-N 2.89Å
64	G	25.1	Very low	26.2	Very low	74 Å²	74	144.5 Å²	144.5	76%	0.763	78%	0.777	S	S	*	*			trans	-72.8	112.9	166.6	0	0	0	0	0	108.4	R62	R62-G64 PolarHBondContact O-N 2.8Å
65	G	25.6	Very low	26.8	Very low	60 Å²	60	149 Å²	149	62%	0.619	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-53	159.9	172.1	0	0	0	0	0	112.5	E63	E63-G65 PolarHBondContact O-N 2.89Å
66	P	25.7	Very low	27.9	Very low	122 Å²	122	146.8 Å²	146.8	79%	0.792	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-57	139.8	-174.8	23	-31.9	0	0	0	110.6	E68	P66-E68 PolarHBondContact O-N 2.84Å; P66-E68 VanDerWaalsContact O-N 3.12Å
67	P	26.4	Very low	29.2	Very low	124 Å²	124	141.3 Å²	141.3	81%	0.805	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-60.5	120.9	-177.3	23	-31.3	0	0	0	109.7	R69	P67-R69 PolarHBondContact O-N 2.86Å
68	E	26.4	Very low	31	Very low	183 Å²	183	137.1 Å²	137.1	86%	0.855	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-50.6	124.4	173.5	-77.2	-173.3	145.5	0	0	109.9	P66 K70	P66-E68 PolarHBondContact O-N 2.84Å; P66-E68 VanDerWaalsContact O-N 3.12Å; E68-K70 PolarHBondContact O-N 2.8Å
69	R	24.4	Very low	33	Very low	231 Å²	231	128.7 Å²	128.7	87%	0.872	66%	0.659	S	S	*	*			trans	-59.4	100.4	171.5	-80.8	179.8	168.3	172.8	-0.5	109	P67 P71	P67-R69 PolarHBondContact O-N 2.86Å; R69-P71 WeakPolarHBondContact O-CD 3.48Å
70	K	24.5	Very low	35.8	Very low	196 Å²	196	129.2 Å²	129.2	85%	0.852	65%	0.649	S	S	*	*			trans	-59.3	120.1	167.2	-76.2	-177.5	177	176	0	109.1	E68	E68-K70 PolarHBondContact O-N 2.8Å
71	P	27.2	Very low	38.5	Very low	96 Å²	96	124 Å²	124	62%	0.623	62%	0.615	S	S	*	*			trans	-61.7	150.5	174.6	-17.4	30.1	0	0	0	110	R69 G73	R69-P71 WeakPolarHBondContact O-CD 3.48Å; P71-G73 PolarHBondContact O-N 2.75Å
72	W	26.5	Very low	41.3	Very low	231 Å²	231	115.3 Å²	115.3	88%	0.875	58%	0.582	S	S	*	*			trans	-58.9	98.3	176.2	-76.1	45.9	0	0	0	110.6	K351	W72-K351 VanDerWaalsContact CH2-CE 3.43Å; W72-K351 HydrophobicContact CZ2-CD 4.43Å
73	G	29.6	Very low	44	Very low	37 Å²	37	106.3 Å²	106.3	38%	0.381	56%	0.555	S	S	.	*			trans	-121	122.9	169.8	0	0	0	0	0	109.6	P71 Q75	P71-G73 PolarHBondContact O-N 2.75Å; G73-Q75 PolarHBondContact O-N 2.76Å
74	D	36.7	Very low	46.5	Very low	76 Å²	76	104.1 Å²	104.1	41%	0.406	56%	0.555	S	S	.	*			trans	-50.7	111.7	152.3	-73.9	-49.6	0	0	0	106.1	Y76 Q195 R202	D74-Y76 VanDerWaalsContact C-N 3.27Å; D74-Y76 HydrophobicContact CB-CE1 4.38Å; D74-Y76 HydrophobicContact CB-CE2 4.25Å; D74-Y76 WeakPolarHBondContact O-CD2 3.35Å; D74-Y76 PolarHBondContact O-N 3.11Å; D74-Q195 PolarHBondContact O-NE2 3.29Å; D74-R202 IonicContact OD2-NH2 2.99Å
75	Q	37	Very low	49.1	Very low	176 Å²	176	109.4 Å²	109.4	82%	0.822	56%	0.56	S	S	*	*			trans	-71.3	95.3	174.1	-159.4	170.5	11	0	0	105.2	G73 D77	G73-Q75 PolarHBondContact O-N 2.76Å; Q75-D77 PolarHBondContact O-N 3.28Å
76	Y	47.6	Very low	51.8	Low	47 Å²	47	108.2 Å²	108.2	18%	0.184	54%	0.539	C	S	.	.			trans	-68.1	100.6	174	-66.3	-72.5	0	0	0	107	D74 Y78 L194 Q195 N198	D74-Y76 VanDerWaalsContact C-N 3.27Å; D74-Y76 HydrophobicContact CB-CE1 4.38Å; D74-Y76 HydrophobicContact CB-CE2 4.25Å; D74-Y76 WeakPolarHBondContact O-CD2 3.35Å; D74-Y76 PolarHBondContact O-N 3.11Å; Y76-Y78 VanDerWaalsContact C-N 3.33Å; Y76-Y78 PolarHBondContact O-N 3.05Å; Y76-L194 HydrophobicContact CD1-CD2 3.32Å; Y76-L194 HydrophobicContact CD1-CG 4.37Å; Y76-L194 HydrophobicContact CD2-CB 4.5Å; Y76-L194 HydrophobicContact CD2-CD2 3.91Å; Y76-L194 HydrophobicContact CD2-CG 4.32Å; Y76-L194 HydrophobicContact CE1-CD2 3.4Å; Y76-L194 HydrophobicContact CE1-CG 4.09Å; Y76-L194 HydrophobicContact CE2-CB 4.45Å; Y76-L194 HydrophobicContact CE2-CD2 3.97Å; Y76-L194 HydrophobicContact CE2-CG 4.04Å; Y76-L194 HydrophobicContact CG-CD2 3.59Å; Y76-L194 HydrophobicContact CG-CG 4.48Å; Y76-Q195 HydrophobicContact CD2-CG 3.64Å; Y76-Q195 HydrophobicContact CE2-CB 4.35Å; Y76-Q195 HydrophobicContact CE2-CG 3.4Å; Y76-N198 PolarHBondContact OH-ND2 2.72Å; Y76-N198 VanDerWaalsContact OH-ND2 3.07Å
77	D	51.6	Low	54.2	Low	38 Å²	38	108.8 Å²	108.8	20%	0.203	54%	0.54	C	S	.	.			trans	-62.7	96.9	170.7	-105.2	-7.2	0	0	0	108.2	Q75 K693	Q75-D77 PolarHBondContact O-N 3.28Å; D77-K693 HydrophobicContact CB-CB 4.16Å
78	Y	62.5	Low	57.1	Low	88 Å²	88	105.4 Å²	105.4	35%	0.345	52%	0.519	S	S	.	.			trans	-90.6	106.4	177.3	-165.6	-94.4	0	0	0	108	Y76 P191 E755	Y76-Y78 VanDerWaalsContact C-N 3.33Å; Y76-Y78 PolarHBondContact O-N 3.05Å; Y78-P191 HydrophobicContact CG-CG 4.49Å; Y78-E755 HydrophobicContact CD2-CG 4.44Å; Y78-E755 HydrophobicContact CE1-CB 4.3Å; Y78-E755 HydrophobicContact CE1-CG 4.42Å; Y78-E755 HydrophobicContact CE2-CB 4.24Å; Y78-E755 HydrophobicContact CE2-CG 3.77Å; Y78-E755 WeakPolarHBondContact OH-CB 3.48Å
79	L	73.6	Confident	60.1	Low	27 Å²	27	96.9 Å²	96.9	14%	0.141	48%	0.48	C	S	.	.			trans	-116.5	115.1	172.4	179.7	71.1	0	0	0	107.1	T81 F696 L779	L79-T81 HydrophobicContact CD2-CG2 3.68Å; L79-T81 HydrophobicContact CG-CG2 3.79Å; L79-T81 PolarHBondContact O-N 3.33Å; L79-F696 HydrophobicContact CD1-CB 4.43Å; L79-F696 HydrophobicContact CD1-CD1 4.12Å; L79-F696 HydrophobicContact CD1-CG 4.23Å; L79-F696 HydrophobicContact CD2-CB 3.53Å; L79-F696 HydrophobicContact CD2-CD2 4.11Å; L79-F696 HydrophobicContact CD2-CG 3.82Å; L79-L779 HydrophobicContact CD2-CD2 4.5Å
80	N	81.5	Confident	63.4	Low	101 Å²	101	90.1 Å²	90.1	54%	0.54	46%	0.456	S	S	.	.			trans	-77.5	112.4	170.9	-174.4	0.8	0	0	0	108.3	R82 E755	N80-R82 PolarHBondContact OD1-N 3.4Å; N80-E755 CarbonylContact C-O 3.58Å; N80-E755 WeakPolarHBondContact CA-O 3.21Å; N80-E755 HydrophobicContact CB-CB 4.46Å; N80-E755 PolarHBondContact OD1-O 2.77Å
81	T	81.3	Confident	66.6	Low	12 Å²	12	81.1 Å²	81.1	7%	0.074	42%	0.419	C	S	.	.			trans	-107.6	-7.1	-179.2	66.7	0	0	0	0	112.4	L79 P83 E755 R756 Y757 N777 L779	L79-T81 HydrophobicContact CD2-CG2 3.68Å; L79-T81 HydrophobicContact CG-CG2 3.79Å; L79-T81 PolarHBondContact O-N 3.33Å; T81-P83 VanDerWaalsContact O-CD 3.28Å; T81-P83 WeakPolarHBondContact O-CD 3.46Å; T81-E755 PolarHBondContact N-O 3.5Å; T81-R756 VanDerWaalsContact OG1-CA 3.31Å; T81-R756 WeakPolarHBondContact OG1-CA 3.39Å; T81-Y757 PolarHBondContact OG1-N 3.43Å; T81-N777 PolarHBondContact OG1-OD1 3.1Å; T81-N777 VanDerWaalsContact OG1-OD1 3.11Å; T81-L779 HydrophobicContact CG2-CD2 3.54Å
82	R	83.8	Confident	69.6	Low	64 Å²	64	81.9 Å²	81.9	24%	0.242	42%	0.422	C	S	.	.	S	Bend	trans	-75	118.1	176.4	-173.3	173.8	-178.6	164.1	-1.9	109.3	N80 L86 V87 E245 P754 E755	N80-R82 PolarHBondContact OD1-N 3.4Å; R82-L86 PolarHBondContact NE-O 3.23Å; R82-V87 PolarHBondContact NH2-O 3.07Å; R82-E245 IonicContact NH1-OE2 3.11Å; R82-P754 WeakPolarHBondContact CD-O 3.47Å; R82-E755 PolarHBondContact N-O 3.21Å; R82-E755 VanDerWaalsContact N-O 3.15Å
83	P	81.4	Confident	72.6	Confident	54 Å²	54	73.9 Å²	73.9	35%	0.351	40%	0.396	S	S	.	.			trans	-60.4	141.7	174.4	-20.6	32.8	0	0	0	110.5	T81 E85 L86	T81-P83 VanDerWaalsContact O-CD 3.28Å; T81-P83 WeakPolarHBondContact O-CD 3.46Å; P83-E85 PolarHBondContact O-N 2.8Å; P83-L86 HydrophobicContact CB-CB 4.11Å; P83-L86 HydrophobicContact CG-CB 4.26Å; P83-L86 WeakPolarHBondContact O-CB 3.5Å; P83-L86 PolarHBondContact O-N 3.28Å
84	V	78.1	Confident	75.6	Confident	150 Å²	150	73.9 Å²	73.9	91%	0.909	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-35.8	179.3	-179.2	0	0	0	0	111.2	L86	V84-L86 VanDerWaalsContact C-N 3.26Å; V84-L86 PolarHBondContact O-N 3.46Å
85	E	79.4	Confident	78.5	Confident	184 Å²	184	74.9 Å²	74.9	86%	0.86	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-17.9	177.8	-61.4	169.8	-163.2	0	0	113.2	P83 V87	P83-E85 PolarHBondContact O-N 2.8Å; E85-V87 PolarHBondContact O-N 2.94Å
86	L	81.5	Confident	81.4	Confident	36 Å²	36	70.4 Å²	70.4	19%	0.188	39%	0.392	C	S	.	.			trans	-82.7	84.1	-178.6	-170.1	71	0	0	0	110.8	R82 P83 V84 S88 K89 Y757 P787	R82-L86 PolarHBondContact NE-O 3.23Å; P83-L86 HydrophobicContact CB-CB 4.11Å; P83-L86 HydrophobicContact CG-CB 4.26Å; P83-L86 WeakPolarHBondContact O-CB 3.5Å; P83-L86 PolarHBondContact O-N 3.28Å; V84-L86 VanDerWaalsContact C-N 3.26Å; V84-L86 PolarHBondContact O-N 3.46Å; L86-S88 VanDerWaalsContact C-N 3.31Å; L86-S88 WeakPolarHBondContact CD1-O 3.45Å; L86-S88 PolarHBondContact O-N 3.32Å; L86-K89 HydrophobicContact CD2-CB 4.17Å; L86-Y757 HydrophobicContact CD2-CD1 3.83Å; L86-Y757 HydrophobicContact CD2-CD2 3.63Å; L86-Y757 HydrophobicContact CD2-CE1 4.24Å; L86-Y757 HydrophobicContact CD2-CE2 4.05Å; L86-Y757 HydrophobicContact CD2-CG 3.54Å; L86-P787 HydrophobicContact CD1-CG 4.06Å
87	V	78.1	Confident	83.7	Confident	133 Å²	133	69.3 Å²	69.3	81%	0.806	39%	0.39	S	S	*	.	S	Bend	trans	-56.3	-43.8	178.8	-177.8	0	0	0	0	111.6	R82 E85	R82-V87 PolarHBondContact NH2-O 3.07Å; E85-V87 PolarHBondContact O-N 2.94Å
88	S	86.1	Confident	85.8	Confident	54 Å²	54	71.9 Å²	71.9	38%	0.378	40%	0.402	S	S	.	.			trans	-137.4	137.9	178.5	-179.5	0	0	0	0	111.1	L86 K90	L86-S88 VanDerWaalsContact C-N 3.31Å; L86-S88 WeakPolarHBondContact CD1-O 3.45Å; L86-S88 PolarHBondContact O-N 3.32Å; S88-K90 WeakPolarHBondContact OG-CB 3.39Å; S88-K90 WeakPolarHBondContact OG-CG 3.22Å; S88-K90 PolarHBondContact OG-N 3.49Å; S88-K90 VanDerWaalsContact OG-N 3.16Å
89	K	90.3	Very high	87.4	Confident	4 Å²	4	67.7 Å²	67.7	2%	0.017	39%	0.385	C	S	.	.			trans	-95.8	1.4	170.9	64	-177.6	176.4	-171.1	0	113.6	L86 E245 T752 L753 R756 Y757 D758 P787	L86-K89 HydrophobicContact CD2-CB 4.17Å; K89-E245 WeakPolarHBondContact CE-OE1 3.3Å; K89-E245 IonicContact NZ-OE1 3.48Å; K89-E245 PolarHBondContact NZ-OE1 3.35Å; K89-T752 VanDerWaalsContact CE-OG1 3.27Å; K89-T752 WeakPolarHBondContact CE-OG1 3.22Å; K89-T752 PolarHBondContact NZ-OG1 2.86Å; K89-L753 PolarHBondContact NZ-O 2.92Å; K89-R756 WeakPolarHBondContact CD-O 3.31Å; K89-R756 PolarHBondContact NZ-O 2.87Å; K89-Y757 HydrophobicContact CB-CD2 3.75Å; K89-Y757 HydrophobicContact CB-CE2 4.05Å; K89-D758 IonicContact NZ-OD1 3.86Å; K89-D758 PolarHBondContact NZ-OD1 3.15Å; K89-P787 VanDerWaalsContact O-CB 3.31Å; K89-P787 WeakPolarHBondContact O-CB 3.3Å
90	K	93.1	Very high	88.4	Confident	89 Å²	89	68.8 Å²	68.8	39%	0.387	39%	0.39	S	S	.	.			trans	-73.7	126	178.1	-55.5	-177.4	-173.1	-161.8	0	110	S88 D748 D749	S88-K90 WeakPolarHBondContact OG-CB 3.39Å; S88-K90 WeakPolarHBondContact OG-CG 3.22Å; S88-K90 PolarHBondContact OG-N 3.49Å; S88-K90 VanDerWaalsContact OG-N 3.16Å; K90-D748 WeakPolarHBondContact CA-OD2 3.3Å; K90-D749 HydrophobicContact CD-CB 4.38Å; K90-D749 WeakPolarHBondContact CE-OD2 3.43Å; K90-D749 HydrophobicContact CG-CB 4.34Å; K90-D749 VanDerWaalsContact NZ-CG 3.32Å; K90-D749 IonicContact NZ-OD1 3.77Å; K90-D749 IonicContact NZ-OD2 3.56Å; K90-D749 PolarHBondContact NZ-OD2 2.84Å
91	G	90.9	Very high	89	Confident	7 Å²	7	64 Å²	64	7%	0.072	36%	0.364	C	S	.	.			trans	-77.7	160.8	166.2	0	0	0	0	0	111.8	R436 D748	G91-R436 VanDerWaalsContact C-CZ 3.47Å; G91-R436 VanDerWaalsContact O-CZ 3.3Å; G91-R436 PolarHBondContact O-NE 3.3Å; G91-D748 PolarHBondContact N-OD2 3.49Å
92	T	91.1	Very high	89.6	Confident	112 Å²	112	63.4 Å²	63.4	69%	0.687	36%	0.361	S	S	*	.			trans	-111	-22.2	-179.6	65.8	0	0	0	0	113.8	E788	T92-E788 WeakPolarHBondContact CB-OE2 3.47Å; T92-E788 PolarHBondContact N-OE2 2.93Å; T92-E788 PolarHBondContact OG1-OE2 3.41Å
93	D	88.9	Confident	90.2	Very high	62 Å²	62	60.7 Å²	60.7	33%	0.332	35%	0.35	S	S	.	.			trans	-66.5	149.8	-179.7	-87.8	-8.4	0	0	0	114.3	R436 E788 K792	D93-R436 WeakPolarHBondContact O-CD 3.43Å; D93-R436 PolarHBondContact O-NH1 3.32Å; D93-E788 HydrophobicContact CB-CB 4.37Å; D93-K792 IonicContact OD2-NZ 2.72Å; D93-K792 PolarHBondContact OD2-NZ 2.95Å
94	G	93.8	Very high	90.8	Very high	38 Å²	38	58.1 Å²	58.1	39%	0.392	33%	0.334	S	S	.	.	S	Bend	trans	94.2	174.6	170.5	0	0	0	0	0	114.6	I437	G94-I437 CarbonylContact C-O 3.55Å; G94-I437 VanDerWaalsContact CA-O 3.29Å; G94-I437 WeakPolarHBondContact CA-O 3.39Å
95	V	97	Very high	91.5	Very high	96 Å²	96	55.5 Å²	55.5	58%	0.582	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	122	-173.8	-178.6	0	0	0	0	109.7	R436 I437	V95-R436 CarbonylContact O-C 3.55Å; V95-R436 VanDerWaalsContact O-CA 3.27Å; V95-R436 WeakPolarHBondContact O-CA 3.27Å; V95-I437 PolarHBondContact N-O 3.45Å; V95-I437 PolarHBondContact O-N 3.34Å
96	P	96.9	Very high	92.2	Very high	82 Å²	82	47 Å²	47	53%	0.532	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	141	179.1	28.8	-34.5	0	0	0	111	G435	P96-G435 WeakPolarHBondContact CA-O 3.45Å
97	V	96.8	Very high	92.6	Very high	24 Å²	24	49.6 Å²	49.6	15%	0.145	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	146.5	177.8	-69	0	0	0	0	110.9	L99 G435 I437 L736	V97-L99 HydrophobicContact CG2-CD1 4.31Å; V97-L99 HydrophobicContact CG2-CD2 4.12Å; V97-L99 HydrophobicContact CG2-CG 4.08Å; V97-G435 PolarHBondContact N-O 3.42Å; V97-G435 PolarHBondContact O-N 2.94Å; V97-I437 HydrophobicContact CG1-CD1 3.57Å; V97-I437 HydrophobicContact CG1-CG1 4.01Å; V97-I437 HydrophobicContact CG2-CD1 4.3Å; V97-I437 HydrophobicContact CG2-CG1 4.01Å; V97-L736 HydrophobicContact CB-CD1 4Å; V97-L736 HydrophobicContact CG1-CD1 4.38Å
98	M	96.8	Very high	93.1	Very high	93 Å²	93	45.9 Å²	45.9	46%	0.458	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	126.9	170.6	-74.7	-54.7	-54.7	0	0	110.4	E432 Q434 L736	M98-E432 HydrophobicContact CE-CB 3.58Å; M98-Q434 HydrophobicContact SD-CB 3.94Å; M98-Q434 HydrophobicContact SD-CG 4.31Å; M98-L736 WeakPolarHBondContact O-CD1 3.5Å
99	L	95.9	Very high	93	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.3	-175.1	-61.4	165.9	0	0	0	110.1	V97 E432 V433 F734 F735 L736 P741 T745 V747	V97-L99 HydrophobicContact CG2-CD1 4.31Å; V97-L99 HydrophobicContact CG2-CD2 4.12Å; V97-L99 HydrophobicContact CG2-CG 4.08Å; L99-E432 CarbonylContact O-C 3.55Å; L99-E432 VanDerWaalsContact O-CA 3.29Å; L99-E432 WeakPolarHBondContact O-CA 3.45Å; L99-V433 PolarHBondContact N-O 3.09Å; L99-V433 PolarHBondContact O-N 2.84Å; L99-F734 HydrophobicContact CB-CB 4.38Å; L99-F734 HydrophobicContact CD1-CD2 3.97Å; L99-F734 HydrophobicContact CD1-CE2 4.41Å; L99-F735 CarbonylContact C-O 3.53Å; L99-F735 WeakPolarHBondContact CA-O 3.48Å; L99-L736 HydrophobicContact CD2-CB 3.84Å; L99-L736 HydrophobicContact CD2-CD1 4.04Å; L99-L736 HydrophobicContact CD2-CG 4.5Å; L99-P741 HydrophobicContact CD2-CB 4.5Å; L99-P741 HydrophobicContact CD2-CG 4.4Å; L99-T745 HydrophobicContact CD1-CG2 3.7Å; L99-T745 HydrophobicContact CD2-CG2 4.16Å; L99-V747 HydrophobicContact CD1-CG2 3.46Å; L99-V747 VanDerWaalsContact CD1-CG2 3.46Å
100	Q	93.7	Very high	92.4	Very high	49 Å²	49	55.7 Å²	55.7	23%	0.229	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	135.2	169.8	-69.7	174.3	-28.5	0	0	109.1	E432 F734 F735	Q100-E432 HydrophobicContact CG-CG 4.26Å; Q100-F734 CarbonylContact O-C 3.23Å; Q100-F734 WeakPolarHBondContact O-CA 3.47Å; Q100-F735 PolarHBondContact N-O 2.77Å; Q100-F735 WeakPolarHBondContact O-CD2 3.41Å; Q100-F735 PolarHBondContact O-N 3.05Å
101	T	94.3	Very high	91.7	Very high	1 Å²	1	60 Å²	60	1%	0.006	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-165.2	-176.9	68.1	0	0	0	0	112.2	F103 V430 T431 V433 R733 F734 I751	T101-F103 PolarHBondContact OG1-N 2.82Å; T101-F103 VanDerWaalsContact OG1-N 3.12Å; T101-V430 VanDerWaalsContact C-CG1 3.47Å; T101-V430 WeakPolarHBondContact O-CG1 3.16Å; T101-T431 WeakPolarHBondContact CB-O 3.44Å; T101-T431 WeakPolarHBondContact CG2-O 3.42Å; T101-T431 PolarHBondContact N-O 3.34Å; T101-T431 VanDerWaalsContact N-O 3.08Å; T101-T431 PolarHBondContact OG1-O 3.18Å; T101-V433 HydrophobicContact CG2-CB 4.19Å; T101-V433 HydrophobicContact CG2-CG2 3.48Å; T101-V433 VanDerWaalsContact CG2-CG2 3.48Å; T101-R733 CarbonylContact C-O 3.6Å; T101-R733 WeakPolarHBondContact CA-O 3.25Å; T101-F734 HydrophobicContact CG2-CB 4.38Å; T101-I751 HydrophobicContact CG2-CD1 4.14Å; T101-I751 HydrophobicContact CG2-CG2 4Å
102	N	94.9	Very high	91.5	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.329	C	S	.	.	S	Bend	trans	-114.6	29.7	162.5	68	-41.2	0	0	0	111.9	T252 L402 N731 R733	N102-T252 WeakPolarHBondContact CB-O 3.48Å; N102-T252 PolarHBondContact ND2-O 2.86Å; N102-T252 PolarHBondContact O-N 2.9Å; N102-L402 HydrophobicContact CB-CD1 3.59Å; N102-N731 PolarHBondContact ND2-O 3.08Å; N102-R733 HydrophobicContact CB-CB 4.23Å; N102-R733 PolarHBondContact N-O 2.82Å; N102-R733 PolarHBondContact OD1-N 2.89Å; N102-R733 PolarHBondContact OD1-O 2.73Å; N102-R733 VanDerWaalsContact OD1-O 3.06Å
103	F	94.6	Very high	91.3	Very high	6 Å²	6	62.1 Å²	62.1	3%	0.026	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	140.8	179.2	-71.3	-100.3	0	0	0	110.7	T101 H244 L249 L250 G251 T431 T732 I751	T101-F103 PolarHBondContact OG1-N 2.82Å; T101-F103 VanDerWaalsContact OG1-N 3.12Å; F103-H244 AromaticContact CD1-NE2 3.93Å; F103-H244 AromaticContact CE1-CE1 3.73Å; F103-H244 AromaticContact CE1-NE2 3.45Å; F103-H244 WeakPolarHBondContact CE1-NE2 3.5Å; F103-L249 HydrophobicContact CB-CB 4.17Å; F103-L249 HydrophobicContact CB-CD1 4.19Å; F103-L249 HydrophobicContact CD1-CB 3.66Å; F103-L249 HydrophobicContact CD1-CD1 4.16Å; F103-L249 HydrophobicContact CG-CB 4.34Å; F103-L249 HydrophobicContact CG-CD1 4.34Å; F103-L250 WeakPolarHBondContact CA-O 3.38Å; F103-G251 VanDerWaalsContact CD1-CA 3.42Å; F103-T431 WeakPolarHBondContact O-CB 3.45Å; F103-T431 PolarHBondContact O-N 3.02Å; F103-T431 PolarHBondContact O-OG1 2.78Å; F103-T732 HydrophobicContact CE2-CG2 3.89Å; F103-T732 HydrophobicContact CZ-CG2 4.37Å; F103-I751 HydrophobicContact CB-CG2 4.44Å; F103-I751 HydrophobicContact CD2-CB 4.44Å; F103-I751 HydrophobicContact CD2-CG2 3.77Å; F103-I751 HydrophobicContact CE2-CB 4.34Å; F103-I751 HydrophobicContact CE2-CG2 4.15Å; F103-I751 HydrophobicContact CG-CG2 4.01Å
104	F	94.3	Very high	91.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131	170.8	-58.5	-80	0	0	0	108.6	L249 L250 L402 N406 L426 V430	F104-L249 WeakPolarHBondContact O-CA 3.34Å; F104-L250 PolarHBondContact N-O 2.74Å; F104-L250 PolarHBondContact O-N 3.46Å; F104-L402 HydrophobicContact CZ-CB 4.32Å; F104-N406 HydrophobicContact CD1-CB 4.34Å; F104-N406 WeakPolarHBondContact CD1-ND2 3.32Å; F104-N406 HydrophobicContact CE1-CB 3.74Å; F104-N406 VanDerWaalsContact CE1-ND2 3.32Å; F104-N406 WeakPolarHBondContact CE1-ND2 3.32Å; F104-N406 HydrophobicContact CE2-CB 4.25Å; F104-N406 HydrophobicContact CZ-CB 3.69Å; F104-L426 HydrophobicContact CB-CD1 3.56Å; F104-L426 HydrophobicContact CB-CG 4.33Å; F104-L426 HydrophobicContact CG-CD1 4.49Å; F104-V430 HydrophobicContact CD1-CG2 4.47Å; F104-V430 HydrophobicContact CE1-CG2 3.7Å; F104-V430 HydrophobicContact CZ-CG2 4.12Å
105	R	94.1	Very high	91.3	Very high	96 Å²	96	57.4 Å²	57.4	36%	0.362	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	135.9	176.5	-178.2	-178.6	-173.9	-174.4	4.6	109.8	D247 L249 D427 T431	R105-D247 HydrophobicContact CG-CB 4.13Å; R105-D247 IonicContact CZ-OD1 3.68Å; R105-D247 IonicContact CZ-OD2 3.62Å; R105-D247 IonicContact NE-OD1 2.6Å; R105-D247 PolarHBondContact NE-OD1 3.03Å; R105-D247 IonicContact NE-OD2 2.63Å; R105-D247 PolarHBondContact NE-OD2 2.86Å; R105-D247 IonicContact NH2-OD1 3.65Å; R105-D247 PolarHBondContact NH2-OD1 2.91Å; R105-D247 IonicContact NH2-OD2 3.56Å; R105-L249 HydrophobicContact CB-CD2 3.95Å; R105-L249 HydrophobicContact CG-CD2 4.24Å; R105-D427 HydrophobicContact CB-CB 4.21Å; R105-D427 WeakPolarHBondContact CB-OD2 3.41Å; R105-D427 WeakPolarHBondContact O-CB 3.45Å; R105-D427 PolarHBondContact O-N 3.49Å; R105-T431 PolarHBondContact N-OG1 3.32Å
106	L	92.4	Very high	91.1	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	108.1	165.6	-88.1	74	0	0	0	107.9	I241 I248 L250 M424 E425 L426	L106-I241 HydrophobicContact CD2-CD1 3.75Å; L106-I248 HydrophobicContact CB-CB 4.32Å; L106-I248 HydrophobicContact CB-CG2 4.21Å; L106-I248 PolarHBondContact N-O 2.9Å; L106-L250 HydrophobicContact CD1-CB 3.47Å; L106-L250 VanDerWaalsContact CD1-CB 3.47Å; L106-M424 HydrophobicContact CB-CE 4.11Å; L106-M424 HydrophobicContact CD2-CE 3.41Å; L106-M424 VanDerWaalsContact CD2-CE 3.41Å; L106-M424 HydrophobicContact CD2-SD 4.17Å; L106-M424 HydrophobicContact CG-CE 4.37Å; L106-E425 CarbonylContact C-O 3.56Å; L106-E425 WeakPolarHBondContact CA-O 3.49Å; L106-L426 HydrophobicContact CD1-CD1 3.48Å; L106-L426 VanDerWaalsContact CD1-CD1 3.48Å; L106-L426 HydrophobicContact CG-CD1 4.19Å
107	K	91.3	Very high	90.9	Very high	91 Å²	91	49.6 Å²	49.6	40%	0.396	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	131.1	173.3	-70.5	171.3	167.3	161	0	109	M424 E425 D427	K107-M424 CarbonylContact O-C 3.55Å; K107-M424 WeakPolarHBondContact O-CA 3.43Å; K107-E425 HydrophobicContact CB-CB 4.41Å; K107-E425 PolarHBondContact N-O 2.81Å; K107-E425 PolarHBondContact O-N 2.73Å; K107-D427 VanDerWaalsContact CD-OD1 3.26Å; K107-D427 WeakPolarHBondContact CD-OD1 3.25Å; K107-D427 VanDerWaalsContact CE-CG 3.47Å; K107-D427 WeakPolarHBondContact CE-OD1 3.42Å; K107-D427 VanDerWaalsContact CE-OD2 3.31Å; K107-D427 WeakPolarHBondContact CE-OD2 3.47Å; K107-D427 IonicContact NZ-OD1 2.68Å; K107-D427 PolarHBondContact NZ-OD1 3.32Å; K107-D427 IonicContact NZ-OD2 3.62Å
108	T	88.1	Confident	90.8	Very high	55 Å²	55	50.7 Å²	50.7	34%	0.337	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	169.4	172.1	61.5	0	0	0	0	109.5	W112 I248 M424	T108-W112 HydrophobicContact CG2-CB 4.44Å; T108-W112 HydrophobicContact CG2-CD2 3.95Å; T108-W112 HydrophobicContact CG2-CE3 4.2Å; T108-W112 HydrophobicContact CG2-CG 4.06Å; T108-I248 HydrophobicContact CG2-CD1 4.24Å; T108-M424 HydrophobicContact CG2-CE 4.09Å; T108-M424 HydrophobicContact CG2-CG 4.28Å
109	K	83.5	Confident	90.6	Very high	124 Å²	124	46.2 Å²	46.2	54%	0.539	22%	0.218	S	C	.	.			trans	-60.8	152.2	167.2	-66.4	-178.7	177.2	174.6	0	110.5	E111 W112 N423	K109-E111 VanDerWaalsContact C-N 3.3Å; K109-E111 PolarHBondContact O-N 2.68Å; K109-W112 HydrophobicContact CB-CB 4.43Å; K109-W112 WeakPolarHBondContact O-CB 3.07Å; K109-W112 PolarHBondContact O-N 3.16Å; K109-W112 VanDerWaalsContact O-N 3.11Å; K109-N423 HydrophobicContact CD-CB 4.26Å; K109-N423 VanDerWaalsContact CE-OD1 3.3Å; K109-N423 WeakPolarHBondContact CE-OD1 3.44Å; K109-N423 HydrophobicContact CG-CB 4.41Å; K109-N423 PolarHBondContact NZ-OD1 3.34Å
110	P	77.3	Confident	90.5	Very high	141 Å²	141	50 Å²	50	92%	0.916	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	-40.9	-179.7	-28.8	35.8	0	0	0	114.4
111	E	79.3	Confident	90.4	Very high	180 Å²	180	48.3 Å²	48.3	84%	0.841	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.6	38.2	177.7	-61.6	-171.1	164.1	0	0	112.6	K109 R113	K109-E111 VanDerWaalsContact C-N 3.3Å; K109-E111 PolarHBondContact O-N 2.68Å; E111-R113 PolarHBondContact O-N 2.87Å
112	W	87.1	Confident	90.3	Very high	28 Å²	28	52.9 Å²	52.9	11%	0.106	26%	0.255	C	S	.	.			trans	-72.1	122.7	-179.7	-173.5	90.7	0	0	0	111.5	T108 K109 I114 T156 F193 L197 I248 W422 M424	T108-W112 HydrophobicContact CG2-CB 4.44Å; T108-W112 HydrophobicContact CG2-CD2 3.95Å; T108-W112 HydrophobicContact CG2-CE3 4.2Å; T108-W112 HydrophobicContact CG2-CG 4.06Å; K109-W112 HydrophobicContact CB-CB 4.43Å; K109-W112 WeakPolarHBondContact O-CB 3.07Å; K109-W112 PolarHBondContact O-N 3.16Å; K109-W112 VanDerWaalsContact O-N 3.11Å; W112-I114 HydrophobicContact CH2-CD1 3.49Å; W112-I114 VanDerWaalsContact CH2-CD1 3.49Å; W112-I114 HydrophobicContact CH2-CG1 3.55Å; W112-I114 HydrophobicContact CZ2-CD1 4.22Å; W112-I114 HydrophobicContact CZ2-CG1 3.91Å; W112-I114 HydrophobicContact CZ3-CD1 4.07Å; W112-I114 HydrophobicContact CZ3-CG1 4.05Å; W112-T156 HydrophobicContact CZ2-CG2 4.41Å; W112-F193 HydrophobicContact CH2-CE2 4.28Å; W112-F193 HydrophobicContact CH2-CZ 4.43Å; W112-F193 AromaticContact CZ3-CE2 3.61Å; W112-F193 HydrophobicContact CZ3-CE2 3.61Å; W112-F193 AromaticContact CZ3-CZ 3.66Å; W112-F193 HydrophobicContact CZ3-CZ 3.66Å; W112-L197 HydrophobicContact CH2-CD2 3.99Å; W112-I248 HydrophobicContact CE3-CD1 4.47Å; W112-I248 HydrophobicContact CH2-CD1 4.43Å; W112-I248 HydrophobicContact CZ3-CD1 3.92Å; W112-W422 HydrophobicContact CZ2-CE3 4.42Å; W112-W422 PolarHBondContact NE1-O 2.94Å; W112-M424 HydrophobicContact CH2-CE 4.39Å; W112-M424 HydrophobicContact CZ2-CE 4.37Å; W112-M424 HydrophobicContact CZ2-CG 4.37Å; W112-M424 HydrophobicContact CZ2-SD 4.16Å
113	R	87.4	Confident	90	Very high	134 Å²	134	55.9 Å²	55.9	51%	0.506	28%	0.275	S	S	.	.			trans	-136.9	145.8	179.2	-58.1	-69.9	-76.4	-92.1	-2.8	109.4	E111 F185	E111-R113 PolarHBondContact O-N 2.87Å; R113-F185 HydrophobicContact CB-CD1 4.08Å
114	I	90.5	Very high	89.8	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.7	169.8	-63.7	165	0	0	0	108.1	W112 F154 I186 F193 V196 W422	W112-I114 HydrophobicContact CH2-CD1 3.49Å; W112-I114 VanDerWaalsContact CH2-CD1 3.49Å; W112-I114 HydrophobicContact CH2-CG1 3.55Å; W112-I114 HydrophobicContact CZ2-CD1 4.22Å; W112-I114 HydrophobicContact CZ2-CG1 3.91Å; W112-I114 HydrophobicContact CZ3-CD1 4.07Å; W112-I114 HydrophobicContact CZ3-CG1 4.05Å; I114-F154 HydrophobicContact CG2-CB 4.19Å; I114-F154 HydrophobicContact CG2-CD1 4.4Å; I114-I186 HydrophobicContact CB-CB 4.32Å; I114-I186 HydrophobicContact CB-CD1 4.31Å; I114-I186 HydrophobicContact CB-CG1 4.42Å; I114-I186 HydrophobicContact CG2-CD1 3.64Å; I114-I186 HydrophobicContact CG2-CG1 4.1Å; I114-I186 PolarHBondContact O-N 3.47Å; I114-F193 HydrophobicContact CD1-CD2 3.8Å; I114-F193 HydrophobicContact CD1-CE2 3.85Å; I114-F193 HydrophobicContact CG1-CE2 4.5Å; I114-V196 HydrophobicContact CD1-CB 4.05Å; I114-V196 HydrophobicContact CD1-CG1 3.51Å; I114-V196 HydrophobicContact CG1-CG1 4.4Å; I114-V196 HydrophobicContact CG2-CG1 4.35Å; I114-W422 HydrophobicContact CG1-CZ3 4.37Å
115	V	91.6	Very high	89.4	Confident	2 Å²	2	62.6 Å²	62.6	1%	0.012	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.4	177.2	-161.4	0	0	0	0	109.4	Y117 F154 T155 K158 F182 F185	V115-Y117 HydrophobicContact CB-CD2 4.42Å; V115-Y117 HydrophobicContact CB-CE2 3.69Å; V115-Y117 HydrophobicContact CG1-CD2 4.11Å; V115-Y117 HydrophobicContact CG1-CE2 3.3Å; V115-Y117 WeakPolarHBondContact CG1-OH 3.5Å; V115-F154 WeakPolarHBondContact O-CA 3.19Å; V115-T155 PolarHBondContact N-O 3.4Å; V115-T155 PolarHBondContact O-N 3Å; V115-T155 VanDerWaalsContact O-N 3.15Å; V115-K158 HydrophobicContact CG2-CB 4.32Å; V115-F182 HydrophobicContact CG1-CD2 3.83Å; V115-F182 HydrophobicContact CG1-CE2 3.49Å; V115-F182 VanDerWaalsContact CG1-CE2 3.49Å; V115-F185 HydrophobicContact CG2-CD1 4.06Å; V115-F185 HydrophobicContact CG2-CE1 3.95Å
116	H	92.8	Very high	89	Confident	13 Å²	13	66.7 Å²	66.7	6%	0.06	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.6	-179.5	179.7	-152.3	0	0	0	110.3	Q152 F154 V183 G184 I186	H116-Q152 PolarHBondContact CE1-OE1 2.79Å; H116-Q152 PolarHBondContact NE2-OE1 3.24Å; H116-F154 HydrophobicContact CB-CD1 4.07Å; H116-F154 HydrophobicContact CB-CE1 4Å; H116-F154 AromaticContact CD2-CD1 3.8Å; H116-F154 AromaticContact CD2-CE1 3.3Å; H116-F154 WeakPolarHBondContact CD2-CE1 3.31Å; H116-F154 AromaticContact CD2-CZ 3.97Å; H116-F154 AromaticContact CG-CE1 3.58Å; H116-F154 AromaticContact NE2-CE1 3.92Å; H116-V183 HydrophobicContact CB-CB 4.49Å; H116-V183 WeakPolarHBondContact O-CB 3.34Å; H116-V183 PolarHBondContact O-N 3.03Å; H116-G184 PolarHBondContact N-O 3.35Å; H116-G184 PolarHBondContact O-N 3.26Å; H116-I186 HydrophobicContact CB-CD1 4.43Å; H116-I186 HydrophobicContact CB-CG1 4.09Å
117	Y	92.8	Very high	88.7	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151.5	178.2	-65.7	-86.2	0	0	0	111.3	V115 L153 T155 K158 F159 I180 K181 F182	V115-Y117 HydrophobicContact CB-CD2 4.42Å; V115-Y117 HydrophobicContact CB-CE2 3.69Å; V115-Y117 HydrophobicContact CG1-CD2 4.11Å; V115-Y117 HydrophobicContact CG1-CE2 3.3Å; V115-Y117 WeakPolarHBondContact CG1-OH 3.5Å; Y117-L153 HydrophobicContact CD2-CD2 4.42Å; Y117-L153 HydrophobicContact CG-CD2 4.48Å; Y117-L153 PolarHBondContact N-O 2.86Å; Y117-L153 PolarHBondContact O-N 2.6Å; Y117-T155 HydrophobicContact CD2-CG2 3.96Å; Y117-T155 HydrophobicContact CE2-CG2 3.7Å; Y117-K158 WeakPolarHBondContact OH-CA 3.44Å; Y117-F159 HydrophobicContact CD1-CD2 4.19Å; Y117-F159 HydrophobicContact CD2-CE2 4.47Å; Y117-F159 AromaticContact CE1-CD2 3.56Å; Y117-F159 HydrophobicContact CE1-CD2 3.56Å; Y117-F159 HydrophobicContact CE1-CE2 4.31Å; Y117-F159 AromaticContact CE2-CD2 3.94Å; Y117-F159 HydrophobicContact CE2-CD2 3.94Å; Y117-F159 HydrophobicContact CE2-CE2 4.1Å; Y117-F159 AromaticContact CZ-CD2 3.42Å; Y117-F159 VanDerWaalsContact CZ-CD2 3.42Å; Y117-F159 PolarHBondContact OH-N 2.79Å; Y117-I180 HydrophobicContact CD1-CG2 3.69Å; Y117-I180 HydrophobicContact CG-CG2 3.84Å; Y117-K181 CarbonylContact C-O 3.52Å; Y117-K181 VanDerWaalsContact CA-O 3.25Å; Y117-K181 WeakPolarHBondContact CA-O 3.26Å; Y117-F182 VanDerWaalsContact CD1-CA 3.47Å; Y117-F182 HydrophobicContact CD1-CB 4.1Å; Y117-F182 HydrophobicContact CD1-CD2 4.4Å; Y117-F182 HydrophobicContact CE1-CB 3.77Å; Y117-F182 AromaticContact CE1-CD2 3.68Å; Y117-F182 HydrophobicContact CE1-CD2 3.68Å; Y117-F182 HydrophobicContact CE1-CG 4.22Å; Y117-F182 AromaticContact CZ-CD2 3.89Å
118	H	93.8	Very high	88.3	Confident	47 Å²	47	68.6 Å²	68.6	22%	0.218	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	137.6	167.2	-171.1	76.6	0	0	0	109.6	E120 L151 I180 K181 V183	H118-E120 IonicContact CD2-OE1 3.46Å; H118-E120 IonicContact NE2-OE1 2.83Å; H118-L151 VanDerWaalsContact CE1-CD1 3.45Å; H118-L151 WeakPolarHBondContact CE1-CD1 3.33Å; H118-L151 VanDerWaalsContact CE1-CG 3.44Å; H118-L151 WeakPolarHBondContact CE1-CG 3.43Å; H118-I180 CarbonylContact O-C 3.43Å; H118-I180 WeakPolarHBondContact O-CA 3.43Å; H118-K181 HydrophobicContact CB-CB 4.5Å; H118-K181 PolarHBondContact N-O 3.46Å; H118-K181 PolarHBondContact O-N 3.44Å; H118-V183 HydrophobicContact CB-CG2 3.9Å
119	V	93.6	Very high	88.2	Confident	0 Å²	0	76 Å²	76	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.9	-174.9	-170.4	0	0	0	0	110.9	F121 L135 F148 L151 L153 I178 S179 I180	V119-F121 HydrophobicContact CB-CE2 4.4Å; V119-F121 HydrophobicContact CG1-CD2 4.47Å; V119-F121 HydrophobicContact CG1-CE2 3.68Å; V119-F121 HydrophobicContact CG1-CZ 3.73Å; V119-L135 HydrophobicContact CG1-CD1 4.3Å; V119-F148 HydrophobicContact CB-CE2 3.64Å; V119-F148 HydrophobicContact CB-CZ 4.02Å; V119-F148 HydrophobicContact CG1-CE2 4.18Å; V119-F148 HydrophobicContact CG1-CZ 4.12Å; V119-F148 HydrophobicContact CG2-CD2 4.17Å; V119-F148 HydrophobicContact CG2-CE2 3.61Å; V119-F148 HydrophobicContact CG2-CZ 4.36Å; V119-L151 PolarHBondContact N-O 2.84Å; V119-L153 HydrophobicContact CG2-CB 3.57Å; V119-L153 HydrophobicContact CG2-CD2 4.15Å; V119-L153 HydrophobicContact CG2-CG 4.49Å; V119-I178 HydrophobicContact CG1-CG2 3.39Å; V119-S179 WeakPolarHBondContact CA-O 3.4Å; V119-I180 HydrophobicContact CG1-CG1 4.33Å; V119-I180 HydrophobicContact CG2-CG1 4.43Å
120	E	93.2	Very high	88.4	Confident	79 Å²	79	73.5 Å²	73.5	37%	0.369	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	151.3	175.4	-72.6	168.6	-156.9	0	0	110.9	H118 I178 S179 K181	H118-E120 IonicContact CD2-OE1 3.46Å; H118-E120 IonicContact NE2-OE1 2.83Å; E120-I178 CarbonylContact O-C 3.56Å; E120-I178 WeakPolarHBondContact O-CA 3.36Å; E120-S179 PolarHBondContact N-O 2.8Å; E120-S179 PolarHBondContact O-N 3.35Å; E120-K181 IonicContact OE1-NZ 2.75Å; E120-K181 PolarHBondContact OE1-NZ 3.47Å; E120-K181 IonicContact OE2-NZ 2.76Å; E120-K181 PolarHBondContact OE2-NZ 3.3Å
121	F	92.6	Very high	89	Confident	13 Å²	13	69.1 Å²	69.1	6%	0.057	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.7	-178.5	-60.6	-99.6	0	0	0	109.9	V119 P123 I125 R131 V134 L135 F148 K177 I178	V119-F121 HydrophobicContact CB-CE2 4.4Å; V119-F121 HydrophobicContact CG1-CD2 4.47Å; V119-F121 HydrophobicContact CG1-CE2 3.68Å; V119-F121 HydrophobicContact CG1-CZ 3.73Å; F121-P123 CarbonylContact C-O 3.49Å; F121-P123 CarbonylContact O-C 3.52Å; F121-I125 HydrophobicContact CB-CD1 4.37Å; F121-I125 HydrophobicContact CB-CG1 4.45Å; F121-I125 HydrophobicContact CD1-CD1 4.17Å; F121-I125 HydrophobicContact CG-CD1 4.41Å; F121-R131 HydrophobicContact CD2-CB 4.29Å; F121-R131 HydrophobicContact CD2-CG 3.87Å; F121-R131 HydrophobicContact CE1-CB 4.28Å; F121-R131 HydrophobicContact CE2-CB 3.71Å; F121-R131 HydrophobicContact CE2-CG 3.79Å; F121-R131 HydrophobicContact CG-CG 4.37Å; F121-R131 HydrophobicContact CZ-CB 3.7Å; F121-R131 HydrophobicContact CZ-CG 4.19Å; F121-V134 HydrophobicContact CD1-CG1 4.19Å; F121-V134 HydrophobicContact CE1-CB 4.3Å; F121-V134 HydrophobicContact CE1-CG1 4.02Å; F121-L135 HydrophobicContact CZ-CB 4.38Å; F121-F148 HydrophobicContact CE2-CE1 4.38Å; F121-F148 AromaticContact CE2-CZ 3.79Å; F121-F148 HydrophobicContact CE2-CZ 3.79Å; F121-F148 AromaticContact CZ-CE1 3.93Å; F121-F148 HydrophobicContact CZ-CE1 3.93Å; F121-F148 AromaticContact CZ-CZ 3.71Å; F121-F148 HydrophobicContact CZ-CZ 3.71Å; F121-K177 CarbonylContact C-O 3.59Å; F121-K177 WeakPolarHBondContact CA-O 2.96Å; F121-I178 HydrophobicContact CD1-CD1 4.44Å; F121-I178 HydrophobicContact CD1-CG1 3.97Å; F121-I178 HydrophobicContact CD1-CG2 4.31Å; F121-I178 HydrophobicContact CE1-CD1 4Å; F121-I178 HydrophobicContact CE1-CG1 3.99Å; F121-I178 HydrophobicContact CE1-CG2 4.02Å; F121-I178 HydrophobicContact CZ-CG2 4.33Å
122	V	91.3	Very high	89.5	Confident	97 Å²	97	64.6 Å²	64.6	59%	0.588	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.3	170.6	178.5	0	0	0	0	107.4	Y176 K177	V122-Y176 CarbonylContact O-C 3.59Å; V122-Y176 WeakPolarHBondContact O-CA 3.48Å; V122-K177 HydrophobicContact CB-CB 4.38Å; V122-K177 PolarHBondContact N-O 3.44Å; V122-K177 PolarHBondContact O-N 3.41Å
123	P	89.5	Confident	89.5	Confident	64 Å²	64	64.7 Å²	64.7	42%	0.416	33%	0.328	S	S	.	.	S	Bend	cis	-66.8	158.4	-2.5	29.4	-35.3	0	0	0	112.5	F121 I125 I174 E175	F121-P123 CarbonylContact C-O 3.49Å; F121-P123 CarbonylContact O-C 3.52Å; P123-I125 PolarHBondContact O-N 3.16Å; P123-I174 HydrophobicContact CG-CG2 4.16Å; P123-E175 WeakPolarHBondContact CD-O 3.4Å
124	T	89.1	Confident	89.6	Confident	117 Å²	117	59 Å²	59	72%	0.718	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-62.8	121.9	179.2	-53.3	0	0	0	0	110.5
125	I	87.1	Confident	89.6	Confident	30 Å²	30	59 Å²	59	15%	0.154	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-101.3	118.5	177.2	-58.3	174.2	0	0	0	108.1	F121 P123 V130 R131 V134	F121-I125 HydrophobicContact CB-CD1 4.37Å; F121-I125 HydrophobicContact CB-CG1 4.45Å; F121-I125 HydrophobicContact CD1-CD1 4.17Å; F121-I125 HydrophobicContact CG-CD1 4.41Å; P123-I125 PolarHBondContact O-N 3.16Å; I125-V130 HydrophobicContact CD1-CG1 4.36Å; I125-V130 HydrophobicContact CG2-CB 3.71Å; I125-V130 HydrophobicContact CG2-CG1 3.74Å; I125-R131 HydrophobicContact CB-CG 3.86Å; I125-R131 HydrophobicContact CG2-CG 3.91Å; I125-R131 PolarHBondContact O-NE 3.21Å; I125-R131 PolarHBondContact O-NH2 2.96Å; I125-V134 HydrophobicContact CD1-CG2 4.07Å
126	E	85.6	Confident	89.5	Confident	181 Å²	181	61.4 Å²	61.4	85%	0.846	32%	0.324	S	S	*	.			trans	-74.1	-33	-179.9	-68.2	-167.8	164.1	0	0	113.4	P128	E126-P128 VanDerWaalsContact O-CD 3.27Å; E126-P128 WeakPolarHBondContact O-CD 3.44Å
127	N	84.8	Confident	89.3	Confident	81 Å²	81	65.9 Å²	65.9	43%	0.433	35%	0.349	S	S	.	.			trans	-83.6	115.4	-174.2	-169.1	-34	0	0	0	111.7	R129 V130 R131	N127-R129 VanDerWaalsContact C-N 3.25Å; N127-R129 PolarHBondContact O-N 2.71Å; N127-R129 WeakPolarHBondContact OD1-CB 3.48Å; N127-R129 PolarHBondContact OD1-N 3.01Å; N127-V130 HydrophobicContact CB-CB 4.27Å; N127-V130 HydrophobicContact CB-CG2 3.85Å; N127-V130 WeakPolarHBondContact O-CB 3.34Å; N127-V130 PolarHBondContact O-N 2.98Å; N127-R131 PolarHBondContact O-N 3.27Å; N127-R131 VanDerWaalsContact O-N 3.17Å
128	P	83.8	Confident	89	Confident	55 Å²	55	67.6 Å²	67.6	36%	0.357	36%	0.357	S	S	.	.	H	α-helix	trans	-61.6	-30.6	-178.3	-23.9	35.2	0	0	0	113.5	E126 V130 R131 M132	E126-P128 VanDerWaalsContact O-CD 3.27Å; E126-P128 WeakPolarHBondContact O-CD 3.44Å; P128-V130 VanDerWaalsContact C-N 3.28Å; P128-V130 PolarHBondContact O-N 3.09Å; P128-R131 WeakPolarHBondContact O-CB 3.43Å; P128-R131 PolarHBondContact O-N 3.29Å; P128-M132 VanDerWaalsContact O-CG 3.26Å; P128-M132 WeakPolarHBondContact O-CG 3.43Å; P128-M132 PolarHBondContact O-N 3.13Å
129	R	86.4	Confident	88.5	Confident	209 Å²	209	66.8 Å²	66.8	79%	0.789	36%	0.359	S	S	*	.	H	α-helix	trans	-66	-35.4	177.5	-65.6	-175.8	-178.1	154.8	2.5	111.9	N127 M132 G133	N127-R129 VanDerWaalsContact C-N 3.25Å; N127-R129 PolarHBondContact O-N 2.71Å; N127-R129 WeakPolarHBondContact OD1-CB 3.48Å; N127-R129 PolarHBondContact OD1-N 3.01Å; R129-M132 PolarHBondContact O-N 2.87Å; R129-G133 PolarHBondContact O-N 3.14Å
130	V	87.8	Confident	87.9	Confident	73 Å²	73	74.3 Å²	74.3	44%	0.442	40%	0.399	S	S	.	.	H	α-helix	trans	-69.7	-44.6	176.1	-179.1	0	0	0	0	109.2	I125 N127 P128 M132 G133 V134	I125-V130 HydrophobicContact CD1-CG1 4.36Å; I125-V130 HydrophobicContact CG2-CB 3.71Å; I125-V130 HydrophobicContact CG2-CG1 3.74Å; N127-V130 HydrophobicContact CB-CB 4.27Å; N127-V130 HydrophobicContact CB-CG2 3.85Å; N127-V130 WeakPolarHBondContact O-CB 3.34Å; N127-V130 PolarHBondContact O-N 2.98Å; P128-V130 VanDerWaalsContact C-N 3.28Å; P128-V130 PolarHBondContact O-N 3.09Å; V130-M132 VanDerWaalsContact C-N 3.3Å; V130-M132 PolarHBondContact O-N 2.84Å; V130-G133 PolarHBondContact O-N 3.21Å; V130-G133 VanDerWaalsContact O-N 3.12Å; V130-V134 HydrophobicContact CG1-CG2 4.28Å; V130-V134 WeakPolarHBondContact O-CG2 3.49Å; V130-V134 PolarHBondContact O-N 2.97Å
131	R	89.4	Confident	87.4	Confident	48 Å²	48	74 Å²	74	18%	0.181	40%	0.399	C	S	.	.	H	α-helix	trans	-53.5	-46.8	172.3	-65.1	-177.2	-173.5	-173.8	-1.5	112.2	F121 I125 N127 P128 V134 L135 F148 G150	F121-R131 HydrophobicContact CD2-CB 4.29Å; F121-R131 HydrophobicContact CD2-CG 3.87Å; F121-R131 HydrophobicContact CE1-CB 4.28Å; F121-R131 HydrophobicContact CE2-CB 3.71Å; F121-R131 HydrophobicContact CE2-CG 3.79Å; F121-R131 HydrophobicContact CG-CG 4.37Å; F121-R131 HydrophobicContact CZ-CB 3.7Å; F121-R131 HydrophobicContact CZ-CG 4.19Å; I125-R131 HydrophobicContact CB-CG 3.86Å; I125-R131 HydrophobicContact CG2-CG 3.91Å; I125-R131 PolarHBondContact O-NE 3.21Å; I125-R131 PolarHBondContact O-NH2 2.96Å; N127-R131 PolarHBondContact O-N 3.27Å; N127-R131 VanDerWaalsContact O-N 3.17Å; P128-R131 WeakPolarHBondContact O-CB 3.43Å; P128-R131 PolarHBondContact O-N 3.29Å; R131-V134 PolarHBondContact O-N 3.41Å; R131-L135 WeakPolarHBondContact O-CB 3.41Å; R131-L135 PolarHBondContact O-N 3.29Å; R131-F148 HydrophobicContact CB-CE1 4.2Å; R131-G150 WeakPolarHBondContact CD-O 3.44Å; R131-G150 PolarHBondContact NH1-O 2.63Å
132	M	88.7	Confident	86.8	Confident	85 Å²	85	73.3 Å²	73.3	42%	0.419	40%	0.396	S	S	.	.	H	α-helix	trans	-62.1	-42.9	177.6	-68.5	171.7	71.9	0	0	112.2	P128 R129 V130 S136 F148	P128-M132 VanDerWaalsContact O-CG 3.26Å; P128-M132 WeakPolarHBondContact O-CG 3.43Å; P128-M132 PolarHBondContact O-N 3.13Å; R129-M132 PolarHBondContact O-N 2.87Å; V130-M132 VanDerWaalsContact C-N 3.3Å; V130-M132 PolarHBondContact O-N 2.84Å; M132-S136 VanDerWaalsContact O-CB 3.3Å; M132-S136 WeakPolarHBondContact O-CB 3.47Å; M132-S136 PolarHBondContact O-N 3.25Å; M132-F148 HydrophobicContact CB-CD1 4.24Å; M132-F148 WeakPolarHBondContact CE-O 3.24Å; M132-F148 HydrophobicContact CG-CD1 3.75Å; M132-F148 HydrophobicContact CG-CE1 4.14Å
133	G	88.3	Confident	86	Confident	31 Å²	31	69.6 Å²	69.6	32%	0.32	38%	0.378	S	S	.	.	H	α-helix	trans	-62.7	-45.1	175.6	0	0	0	0	0	112.4	R129 V130 S136 N137	R129-G133 PolarHBondContact O-N 3.14Å; V130-G133 PolarHBondContact O-N 3.21Å; V130-G133 VanDerWaalsContact O-N 3.12Å; G133-S136 PolarHBondContact O-N 2.67Å; G133-S136 PolarHBondContact O-OG 2.87Å; G133-N137 PolarHBondContact O-N 3.29Å
134	V	89.9	Confident	85.3	Confident	15 Å²	15	70 Å²	70	9%	0.091	38%	0.382	C	S	.	.	H	α-helix	trans	-61.7	-48.4	177.8	170.7	0	0	0	0	111	F121 I125 V130 R131 S136 N137 Y176 I178	F121-V134 HydrophobicContact CD1-CG1 4.19Å; F121-V134 HydrophobicContact CE1-CB 4.3Å; F121-V134 HydrophobicContact CE1-CG1 4.02Å; I125-V134 HydrophobicContact CD1-CG2 4.07Å; V130-V134 HydrophobicContact CG1-CG2 4.28Å; V130-V134 WeakPolarHBondContact O-CG2 3.49Å; V130-V134 PolarHBondContact O-N 2.97Å; R131-V134 PolarHBondContact O-N 3.41Å; V134-S136 VanDerWaalsContact C-N 3.26Å; V134-S136 PolarHBondContact O-N 3.36Å; V134-N137 WeakPolarHBondContact O-CB 3.22Å; V134-N137 PolarHBondContact O-N 2.94Å; V134-Y176 HydrophobicContact CG1-CD1 4.09Å; V134-Y176 HydrophobicContact CG1-CD2 3.57Å; V134-Y176 HydrophobicContact CG1-CE1 3.94Å; V134-Y176 HydrophobicContact CG1-CE2 3.43Å; V134-Y176 VanDerWaalsContact CG1-CE2 3.43Å; V134-Y176 HydrophobicContact CG1-CG 3.92Å; V134-I178 HydrophobicContact CG1-CD1 3.94Å; V134-I178 HydrophobicContact CG1-CG1 4.43Å
135	L	89.9	Confident	85	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-63.4	-33.8	176.8	-169	71.2	0	0	0	111.8	V119 F121 R131 N137 H138 L142 F148 L153 I178 I180	V119-L135 HydrophobicContact CG1-CD1 4.3Å; F121-L135 HydrophobicContact CZ-CB 4.38Å; R131-L135 WeakPolarHBondContact O-CB 3.41Å; R131-L135 PolarHBondContact O-N 3.29Å; L135-N137 PolarHBondContact O-N 3.2Å; L135-H138 PolarHBondContact O-N 3.35Å; L135-L142 HydrophobicContact CD1-CD1 4.29Å; L135-L142 HydrophobicContact CD1-CD2 4.49Å; L135-L142 HydrophobicContact CD2-CD1 4.06Å; L135-L142 HydrophobicContact CG-CD1 3.82Å; L135-F148 HydrophobicContact CB-CD1 4.07Å; L135-F148 HydrophobicContact CB-CE1 3.96Å; L135-F148 HydrophobicContact CD2-CB 3.95Å; L135-F148 HydrophobicContact CD2-CD1 3.34Å; L135-F148 HydrophobicContact CD2-CD2 3.69Å; L135-F148 HydrophobicContact CD2-CE1 3.63Å; L135-F148 HydrophobicContact CD2-CE2 3.99Å; L135-F148 HydrophobicContact CD2-CG 3.37Å; L135-F148 HydrophobicContact CD2-CZ 3.95Å; L135-F148 HydrophobicContact CG-CD1 4.32Å; L135-F148 HydrophobicContact CG-CE1 4.4Å; L135-L153 HydrophobicContact CD2-CD1 4.24Å; L135-I178 HydrophobicContact CD1-CD1 3.96Å; L135-I178 HydrophobicContact CD1-CG2 3.98Å; L135-I180 HydrophobicContact CD1-CD1 4.22Å
136	S	88.6	Confident	85.2	Confident	51 Å²	51	64.8 Å²	64.8	36%	0.357	35%	0.348	S	S	.	.	H	α-helix	trans	-65.1	-22.9	-179.7	76.4	0	0	0	0	114.4	M132 G133 V134 H138 A139 Y146	M132-S136 VanDerWaalsContact O-CB 3.3Å; M132-S136 WeakPolarHBondContact O-CB 3.47Å; M132-S136 PolarHBondContact O-N 3.25Å; G133-S136 PolarHBondContact O-N 2.67Å; G133-S136 PolarHBondContact O-OG 2.87Å; V134-S136 VanDerWaalsContact C-N 3.26Å; V134-S136 PolarHBondContact O-N 3.36Å; S136-H138 PolarHBondContact O-N 2.91Å; S136-A139 VanDerWaalsContact O-CB 3.26Å; S136-A139 WeakPolarHBondContact O-CB 3.26Å; S136-A139 PolarHBondContact O-N 3.48Å; S136-A139 VanDerWaalsContact O-N 3.14Å; S136-Y146 WeakPolarHBondContact CA-OH 3.44Å; S136-Y146 WeakPolarHBondContact CB-OH 3.3Å
137	N	88.3	Confident	85.3	Confident	108 Å²	108	57.4 Å²	57.4	58%	0.578	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-22.2	171.9	-65.1	-21.4	0	0	0	112.2	G133 V134 L135	G133-N137 PolarHBondContact O-N 3.29Å; V134-N137 WeakPolarHBondContact O-CB 3.22Å; V134-N137 PolarHBondContact O-N 2.94Å; L135-N137 PolarHBondContact O-N 3.2Å
138	H	87.9	Confident	85.5	Confident	35 Å²	35	54.4 Å²	54.4	16%	0.162	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	16.4	179.3	-60	-86	0	0	0	112.7	L135 S136 N140 L141 L142 L166 Y176	L135-H138 PolarHBondContact O-N 3.35Å; S136-H138 PolarHBondContact O-N 2.91Å; H138-N140 PolarHBondContact O-N 3.19Å; H138-L141 WeakPolarHBondContact O-CB 3.37Å; H138-L141 PolarHBondContact O-N 3.12Å; H138-L142 PolarHBondContact O-N 2.86Å; H138-L166 HydrophobicContact CB-CD1 3.77Å; H138-Y176 AromaticContact NE2-CE2 3.53Å; H138-Y176 AromaticContact NE2-CZ 3.74Å; H138-Y176 PolarHBondContact NE2-OH 2.74Å
139	A	83	Confident	85.4	Confident	31 Å²	31	55.2 Å²	55.2	26%	0.256	30%	0.298	S	S	.	.	H	α-helix	trans	-52.8	-34.7	-174.7	0	0	0	0	0	113.7	S136 L141 L142 Y146	S136-A139 VanDerWaalsContact O-CB 3.26Å; S136-A139 WeakPolarHBondContact O-CB 3.26Å; S136-A139 PolarHBondContact O-N 3.48Å; S136-A139 VanDerWaalsContact O-N 3.14Å; A139-L141 PolarHBondContact O-N 2.99Å; A139-L142 PolarHBondContact O-N 3.21Å; A139-Y146 HydrophobicContact CB-CE1 3.96Å
140	N	81.8	Confident	85.2	Confident	157 Å²	157	45.4 Å²	45.4	84%	0.84	26%	0.262	S	S	*	.	H	α-helix	trans	-58.9	-32.8	178.6	-60.1	-9.2	0	0	0	112.4	H138	H138-N140 PolarHBondContact O-N 3.19Å
141	L	82	Confident	85.1	Confident	72 Å²	72	44.9 Å²	44.9	38%	0.377	26%	0.257	S	S	.	.	H	α-helix	trans	-82.1	-32.7	-178.7	-149.6	95.2	0	0	0	112.3	H138 A139 G143 R157 F159 T164 L166	H138-L141 WeakPolarHBondContact O-CB 3.37Å; H138-L141 PolarHBondContact O-N 3.12Å; A139-L141 PolarHBondContact O-N 2.99Å; L141-G143 PolarHBondContact O-N 3.25Å; L141-R157 WeakPolarHBondContact O-CD 2.87Å; L141-R157 PolarHBondContact O-NH1 2.87Å; L141-F159 HydrophobicContact CD2-CE1 4.23Å; L141-F159 WeakPolarHBondContact O-CE1 3.37Å; L141-T164 HydrophobicContact CD2-CG2 4.37Å; L141-L166 HydrophobicContact CD2-CD1 4.13Å; L141-L166 HydrophobicContact CD2-CD2 3.38Å; L141-L166 HydrophobicContact CD2-CG 4.37Å
142	L	80.4	Confident	85.2	Confident	0 Å²	0	45 Å²	45	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-71.7	-14.2	-177.4	-54.5	175.7	0	0	0	113.4	L135 H138 A139 Y146 L153 T155 F159 I180	L135-L142 HydrophobicContact CD1-CD1 4.29Å; L135-L142 HydrophobicContact CD1-CD2 4.49Å; L135-L142 HydrophobicContact CD2-CD1 4.06Å; L135-L142 HydrophobicContact CG-CD1 3.82Å; H138-L142 PolarHBondContact O-N 2.86Å; A139-L142 PolarHBondContact O-N 3.21Å; L142-Y146 HydrophobicContact CB-CD1 3.93Å; L142-Y146 HydrophobicContact CB-CE1 4.48Å; L142-Y146 HydrophobicContact CB-CG 4.23Å; L142-Y146 HydrophobicContact CD1-CD1 3.9Å; L142-Y146 HydrophobicContact CD1-CD2 4.04Å; L142-Y146 HydrophobicContact CD1-CE1 3.82Å; L142-Y146 HydrophobicContact CD1-CE2 3.97Å; L142-Y146 HydrophobicContact CD1-CG 4.02Å; L142-L153 HydrophobicContact CD2-CD2 3.98Å; L142-T155 PolarHBondContact O-OG1 2.9Å; L142-F159 HydrophobicContact CD2-CZ 3.93Å; L142-I180 HydrophobicContact CD2-CD1 3.82Å
143	G	74.6	Confident	85.3	Confident	19 Å²	19	40.9 Å²	40.9	20%	0.196	24%	0.239	C	C	.	.			trans	95	170.6	-171.1	0	0	0	0	0	112.1	L141 G145	L141-G143 PolarHBondContact O-N 3.25Å; G143-G145 VanDerWaalsContact C-N 3.28Å; G143-G145 PolarHBondContact O-N 2.99Å
144	S	74.4	Confident	85.5	Confident	73 Å²	73	40.9 Å²	40.9	51%	0.51	23%	0.23	S	C	.	.	S	Bend	trans	-59.8	-36.3	-175.8	46.9	0	0	0	0	113.3	D421	S144-D421 WeakPolarHBondContact O-CB 3.26Å; S144-D421 WeakPolarHBondContact OG-CA 3.4Å; S144-D421 PolarHBondContact OG-O 2.66Å
145	G	82.2	Confident	85.6	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.01	23%	0.226	C	C	.	.			trans	-125.6	118.4	-177	0	0	0	0	0	112.7	G143 T155 D421	G143-G145 VanDerWaalsContact C-N 3.28Å; G143-G145 PolarHBondContact O-N 2.99Å; G145-T155 PolarHBondContact O-OG1 2.79Å; G145-D421 WeakPolarHBondContact CA-O 3.41Å; G145-D421 PolarHBondContact N-O 3.35Å
146	Y	90.8	Very high	85.5	Confident	36 Å²	36	41.7 Å²	41.7	14%	0.141	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	156.3	170.6	73.5	-87	0	0	0	112.2	S136 A139 L142 F148 L153 F154 R203	S136-Y146 WeakPolarHBondContact CA-OH 3.44Å; S136-Y146 WeakPolarHBondContact CB-OH 3.3Å; A139-Y146 HydrophobicContact CB-CE1 3.96Å; L142-Y146 HydrophobicContact CB-CD1 3.93Å; L142-Y146 HydrophobicContact CB-CE1 4.48Å; L142-Y146 HydrophobicContact CB-CG 4.23Å; L142-Y146 HydrophobicContact CD1-CD1 3.9Å; L142-Y146 HydrophobicContact CD1-CD2 4.04Å; L142-Y146 HydrophobicContact CD1-CE1 3.82Å; L142-Y146 HydrophobicContact CD1-CE2 3.97Å; L142-Y146 HydrophobicContact CD1-CG 4.02Å; Y146-F148 HydrophobicContact CD2-CB 3.99Å; Y146-F148 HydrophobicContact CE2-CB 3.98Å; Y146-L153 HydrophobicContact CD2-CD1 3.68Å; Y146-L153 HydrophobicContact CG-CD1 4.13Å; Y146-F154 CarbonylContact C-O 3.49Å; Y146-F154 WeakPolarHBondContact CA-O 3.44Å; Y146-F154 WeakPolarHBondContact CB-O 3.49Å; Y146-R203 PolarHBondContact O-NH1 3.42Å
147	L	89.2	Confident	85.5	Confident	25 Å²	25	44.9 Å²	44.9	13%	0.131	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131.1	169.7	-70.6	171.9	0	0	0	108.4	L153 F154 V196 L199 I200 W422	L147-L153 WeakPolarHBondContact O-CA 3.43Å; L147-F154 HydrophobicContact CB-CB 4.33Å; L147-F154 HydrophobicContact CB-CD2 4.31Å; L147-F154 PolarHBondContact N-O 2.85Å; L147-F154 PolarHBondContact O-N 3.49Å; L147-V196 HydrophobicContact CD1-CG1 4Å; L147-L199 HydrophobicContact CD1-CB 3.52Å; L147-L199 HydrophobicContact CD1-CD1 3.95Å; L147-L199 HydrophobicContact CD1-CG 4.4Å; L147-L199 HydrophobicContact CD2-CB 4.17Å; L147-I200 HydrophobicContact CD1-CG1 4.24Å; L147-W422 HydrophobicContact CB-CZ2 4.31Å; L147-W422 HydrophobicContact CD1-CH2 4.3Å; L147-W422 HydrophobicContact CD1-CZ2 4.15Å; L147-W422 HydrophobicContact CG-CH2 4.18Å; L147-W422 HydrophobicContact CG-CZ2 3.68Å
148	F	88.4	Confident	85.5	Confident	19 Å²	19	45.7 Å²	45.7	8%	0.083	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	129.8	-180	-178.7	-123.1	0	0	0	110.1	V119 F121 R131 M132 L135 Y146 Q152 L153	V119-F148 HydrophobicContact CB-CE2 3.64Å; V119-F148 HydrophobicContact CB-CZ 4.02Å; V119-F148 HydrophobicContact CG1-CE2 4.18Å; V119-F148 HydrophobicContact CG1-CZ 4.12Å; V119-F148 HydrophobicContact CG2-CD2 4.17Å; V119-F148 HydrophobicContact CG2-CE2 3.61Å; V119-F148 HydrophobicContact CG2-CZ 4.36Å; F121-F148 HydrophobicContact CE2-CE1 4.38Å; F121-F148 AromaticContact CE2-CZ 3.79Å; F121-F148 HydrophobicContact CE2-CZ 3.79Å; F121-F148 AromaticContact CZ-CE1 3.93Å; F121-F148 HydrophobicContact CZ-CE1 3.93Å; F121-F148 AromaticContact CZ-CZ 3.71Å; F121-F148 HydrophobicContact CZ-CZ 3.71Å; R131-F148 HydrophobicContact CB-CE1 4.2Å; M132-F148 HydrophobicContact CB-CD1 4.24Å; M132-F148 WeakPolarHBondContact CE-O 3.24Å; M132-F148 HydrophobicContact CG-CD1 3.75Å; M132-F148 HydrophobicContact CG-CE1 4.14Å; L135-F148 HydrophobicContact CB-CD1 4.07Å; L135-F148 HydrophobicContact CB-CE1 3.96Å; L135-F148 HydrophobicContact CD2-CB 3.95Å; L135-F148 HydrophobicContact CD2-CD1 3.34Å; L135-F148 HydrophobicContact CD2-CD2 3.69Å; L135-F148 HydrophobicContact CD2-CE1 3.63Å; L135-F148 HydrophobicContact CD2-CE2 3.99Å; L135-F148 HydrophobicContact CD2-CG 3.37Å; L135-F148 HydrophobicContact CD2-CZ 3.95Å; L135-F148 HydrophobicContact CG-CD1 4.32Å; L135-F148 HydrophobicContact CG-CE1 4.4Å; Y146-F148 HydrophobicContact CD2-CB 3.99Å; Y146-F148 HydrophobicContact CE2-CB 3.98Å; F148-Q152 WeakPolarHBondContact CA-O 3.46Å; F148-Q152 VanDerWaalsContact CD2-O 3.24Å; F148-Q152 WeakPolarHBondContact CD2-O 3.45Å; F148-L153 HydrophobicContact CB-CD1 4.16Å; F148-L153 HydrophobicContact CD2-CB 3.94Å; F148-L153 HydrophobicContact CD2-CD1 4.49Å
149	D	80.9	Confident	85.6	Confident	71 Å²	71	44.8 Å²	44.8	38%	0.38	23%	0.234	S	C	.	.			trans	-105.1	3.5	-177.8	70.9	-1	0	0	0	113.9	L151 Q152	D149-L151 PolarHBondContact OD1-N 2.63Å; D149-Q152 PolarHBondContact N-O 3Å; D149-Q152 PolarHBondContact OD1-N 2.96Å
150	G	82.4	Confident	85.7	Confident	3 Å²	3	53 Å²	53	3%	0.031	27%	0.267	C	S	.	.	S	Bend	trans	101.9	-6.2	-173.4	0	0	0	0	0	114	R131	R131-G150 WeakPolarHBondContact CD-O 3.44Å; R131-G150 PolarHBondContact NH1-O 2.63Å
151	L	86.9	Confident	85.9	Confident	62 Å²	62	51.4 Å²	51.4	33%	0.325	25%	0.254	S	S	.	.	S	Bend	trans	-143.2	-48.9	175.7	-168.2	76.7	0	0	0	112.3	H118 V119 D149	H118-L151 VanDerWaalsContact CE1-CD1 3.45Å; H118-L151 WeakPolarHBondContact CE1-CD1 3.33Å; H118-L151 VanDerWaalsContact CE1-CG 3.44Å; H118-L151 WeakPolarHBondContact CE1-CG 3.43Å; V119-L151 PolarHBondContact N-O 2.84Å; D149-L151 PolarHBondContact OD1-N 2.63Å
152	Q	90.2	Very high	86	Confident	50 Å²	50	54.9 Å²	54.9	23%	0.234	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	130.7	-177.7	-51.9	-63	-17.9	0	0	109.8	H116 F148 D149 F154	H116-Q152 PolarHBondContact CE1-OE1 2.79Å; H116-Q152 PolarHBondContact NE2-OE1 3.24Å; F148-Q152 WeakPolarHBondContact CA-O 3.46Å; F148-Q152 VanDerWaalsContact CD2-O 3.24Å; F148-Q152 WeakPolarHBondContact CD2-O 3.45Å; D149-Q152 PolarHBondContact N-O 3Å; D149-Q152 PolarHBondContact OD1-N 2.96Å; Q152-F154 HydrophobicContact CB-CE2 4.23Å; Q152-F154 HydrophobicContact CB-CZ 4.24Å
153	L	91.4	Very high	86.5	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.6	178	169.6	70	0	0	0	110.1	Y117 V119 L135 L142 Y146 L147 F148 I180	Y117-L153 HydrophobicContact CD2-CD2 4.42Å; Y117-L153 HydrophobicContact CG-CD2 4.48Å; Y117-L153 PolarHBondContact N-O 2.86Å; Y117-L153 PolarHBondContact O-N 2.6Å; V119-L153 HydrophobicContact CG2-CB 3.57Å; V119-L153 HydrophobicContact CG2-CD2 4.15Å; V119-L153 HydrophobicContact CG2-CG 4.49Å; L135-L153 HydrophobicContact CD2-CD1 4.24Å; L142-L153 HydrophobicContact CD2-CD2 3.98Å; Y146-L153 HydrophobicContact CD2-CD1 3.68Å; Y146-L153 HydrophobicContact CG-CD1 4.13Å; L147-L153 WeakPolarHBondContact O-CA 3.43Å; F148-L153 HydrophobicContact CB-CD1 4.16Å; F148-L153 HydrophobicContact CD2-CB 3.94Å; F148-L153 HydrophobicContact CD2-CD1 4.49Å; L153-I180 HydrophobicContact CD2-CD1 4.43Å; L153-I180 HydrophobicContact CD2-CG2 3.97Å
154	F	92.3	Very high	87.2	Confident	30 Å²	30	58.6 Å²	58.6	13%	0.132	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.7	173.1	-53.8	-71.6	0	0	0	109.9	I114 V115 H116 Y146 L147 Q152 I186 V196 W422	I114-F154 HydrophobicContact CG2-CB 4.19Å; I114-F154 HydrophobicContact CG2-CD1 4.4Å; V115-F154 WeakPolarHBondContact O-CA 3.19Å; H116-F154 HydrophobicContact CB-CD1 4.07Å; H116-F154 HydrophobicContact CB-CE1 4Å; H116-F154 AromaticContact CD2-CD1 3.8Å; H116-F154 AromaticContact CD2-CE1 3.3Å; H116-F154 WeakPolarHBondContact CD2-CE1 3.31Å; H116-F154 AromaticContact CD2-CZ 3.97Å; H116-F154 AromaticContact CG-CE1 3.58Å; H116-F154 AromaticContact NE2-CE1 3.92Å; Y146-F154 CarbonylContact C-O 3.49Å; Y146-F154 WeakPolarHBondContact CA-O 3.44Å; Y146-F154 WeakPolarHBondContact CB-O 3.49Å; L147-F154 HydrophobicContact CB-CB 4.33Å; L147-F154 HydrophobicContact CB-CD2 4.31Å; L147-F154 PolarHBondContact N-O 2.85Å; L147-F154 PolarHBondContact O-N 3.49Å; Q152-F154 HydrophobicContact CB-CE2 4.23Å; Q152-F154 HydrophobicContact CB-CZ 4.24Å; F154-I186 HydrophobicContact CD1-CD1 3.55Å; F154-I186 HydrophobicContact CE1-CD1 3.56Å; F154-V196 HydrophobicContact CB-CG2 4.27Å; F154-V196 HydrophobicContact CD1-CG2 4.08Å; F154-V196 HydrophobicContact CD2-CG2 3.94Å; F154-V196 HydrophobicContact CE1-CG2 4.39Å; F154-V196 HydrophobicContact CE2-CG2 4.28Å; F154-V196 HydrophobicContact CG-CG2 3.82Å; F154-V196 HydrophobicContact CZ-CG2 4.48Å; F154-W422 HydrophobicContact CB-CH2 4.24Å; F154-W422 WeakPolarHBondContact O-CH2 3.09Å
155	T	91.8	Very high	87.9	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	170	177.6	179.3	0	0	0	0	110	V115 Y117 L142 G145 R157	V115-T155 PolarHBondContact N-O 3.4Å; V115-T155 PolarHBondContact O-N 3Å; V115-T155 VanDerWaalsContact O-N 3.15Å; Y117-T155 HydrophobicContact CD2-CG2 3.96Å; Y117-T155 HydrophobicContact CE2-CG2 3.7Å; L142-T155 PolarHBondContact O-OG1 2.9Å; G145-T155 PolarHBondContact O-OG1 2.79Å; T155-R157 VanDerWaalsContact CG2-O 3.27Å; T155-R157 WeakPolarHBondContact CG2-O 3.44Å; T155-R157 PolarHBondContact OG1-N 2.95Å
156	T	88.2	Confident	88.3	Confident	32 Å²	32	59.9 Å²	59.9	20%	0.196	29%	0.287	C	S	.	.	S	Bend	trans	-92.3	-15.5	170.1	53.5	0	0	0	0	112.5	W112 W422	W112-T156 HydrophobicContact CZ2-CG2 4.41Å; T156-W422 HydrophobicContact CG2-CE3 3.83Å; T156-W422 HydrophobicContact CG2-CZ3 4.27Å
157	R	87.9	Confident	88.3	Confident	119 Å²	119	61.7 Å²	61.7	45%	0.449	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-84.2	125.9	179	-172.7	179.5	-175.4	172.4	5.7	110.4	L141 T155	L141-R157 WeakPolarHBondContact O-CD 2.87Å; L141-R157 PolarHBondContact O-NH1 2.87Å; T155-R157 VanDerWaalsContact CG2-O 3.27Å; T155-R157 WeakPolarHBondContact CG2-O 3.44Å; T155-R157 PolarHBondContact OG1-N 2.95Å
158	K	88.7	Confident	88.2	Confident	125 Å²	125	61.6 Å²	61.6	54%	0.543	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-87.9	122.1	166.4	-168.6	-173.3	-178.3	-174.1	0	109.4	V115 Y117 F185	V115-K158 HydrophobicContact CG2-CB 4.32Å; Y117-K158 WeakPolarHBondContact OH-CA 3.44Å; K158-F185 HydrophobicContact CD-CE1 4.35Å; K158-F185 HydrophobicContact CD-CZ 3.84Å
159	F	89.3	Confident	88.1	Confident	16 Å²	16	65.7 Å²	65.7	7%	0.07	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-71	146.3	167.7	-60.8	-69.3	0	0	0	110.9	Y117 L141 L142 T164 I180	Y117-F159 HydrophobicContact CD1-CD2 4.19Å; Y117-F159 HydrophobicContact CD2-CE2 4.47Å; Y117-F159 AromaticContact CE1-CD2 3.56Å; Y117-F159 HydrophobicContact CE1-CD2 3.56Å; Y117-F159 HydrophobicContact CE1-CE2 4.31Å; Y117-F159 AromaticContact CE2-CD2 3.94Å; Y117-F159 HydrophobicContact CE2-CD2 3.94Å; Y117-F159 HydrophobicContact CE2-CE2 4.1Å; Y117-F159 AromaticContact CZ-CD2 3.42Å; Y117-F159 VanDerWaalsContact CZ-CD2 3.42Å; Y117-F159 PolarHBondContact OH-N 2.79Å; L141-F159 HydrophobicContact CD2-CE1 4.23Å; L141-F159 WeakPolarHBondContact O-CE1 3.37Å; L142-F159 HydrophobicContact CD2-CZ 3.93Å; F159-T164 WeakPolarHBondContact CB-OG1 3.37Å; F159-I180 HydrophobicContact CD2-CG2 4.41Å; F159-I180 HydrophobicContact CE2-CG2 4.13Å
160	E	85.9	Confident	88.1	Confident	204 Å²	204	64 Å²	64	95%	0.953	32%	0.321	S	S	*	.	S	Bend	trans	-68	-38.6	179.6	-65.9	176.4	-172.1	0	0	111.8
161	Q	86.1	Confident	88	Confident	122 Å²	122	74.4 Å²	74.4	57%	0.57	37%	0.366	S	S	*	.	S	Bend	trans	-89	143.6	-179.3	-64.8	165.3	-4.9	0	0	110.8	I163	Q161-I163 VanDerWaalsContact C-N 3.25Å; Q161-I163 PolarHBondContact O-N 3.26Å
162	E	84.3	Confident	87.8	Confident	146 Å²	146	78.3 Å²	78.3	68%	0.682	39%	0.386	S	S	*	.	S	Bend	trans	-64.6	-33.8	174.3	-167.4	176.5	-168	0	0	111.7	K181 F182	E162-K181 CarbonylContact O-C 3.57Å; E162-K181 WeakPolarHBondContact O-CA 3.48Å; E162-F182 HydrophobicContact CG-CB 4.31Å; E162-F182 PolarHBondContact O-N 3.3Å
163	I	90.3	Very high	87.5	Confident	81 Å²	81	80.8 Å²	80.8	42%	0.415	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	114	172.9	-53.2	-175.3	0	0	0	108.5	Q161 V165 S179 I180 K181	Q161-I163 VanDerWaalsContact C-N 3.25Å; Q161-I163 PolarHBondContact O-N 3.26Å; I163-V165 HydrophobicContact CG2-CG2 4.22Å; I163-S179 WeakPolarHBondContact CG2-OG 3.27Å; I163-I180 WeakPolarHBondContact CA-O 3.27Å; I163-K181 HydrophobicContact CD1-CD 4.43Å; I163-K181 HydrophobicContact CD1-CG 4.2Å; I163-K181 HydrophobicContact CG1-CG 4.04Å; I163-K181 HydrophobicContact CG2-CG 4.19Å
164	T	89.4	Confident	87.4	Confident	15 Å²	15	85.1 Å²	85.1	9%	0.092	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	123	172.4	-56.8	0	0	0	0	109	L141 F159 L166 I180	L141-T164 HydrophobicContact CD2-CG2 4.37Å; F159-T164 WeakPolarHBondContact CB-OG1 3.37Å; T164-L166 HydrophobicContact CG2-CD2 3.98Å; T164-I180 PolarHBondContact N-O 3.48Å; T164-I180 PolarHBondContact O-N 2.9Å
165	V	90.1	Very high	87.3	Confident	84 Å²	84	90.2 Å²	90.2	51%	0.509	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	124.8	178.2	-177.5	0	0	0	0	110	I163 I178	I163-V165 HydrophobicContact CG2-CG2 4.22Å; V165-I178 CarbonylContact C-O 3.6Å; V165-I178 VanDerWaalsContact CA-O 3.3Å; V165-I178 WeakPolarHBondContact CA-O 3.38Å
166	L	89.7	Confident	87.3	Confident	17 Å²	17	90.9 Å²	90.9	9%	0.089	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	135.4	175.8	-51	179.3	0	0	0	109.3	H138 L141 T164 K177 I178 I180	H138-L166 HydrophobicContact CB-CD1 3.77Å; L141-L166 HydrophobicContact CD2-CD1 4.13Å; L141-L166 HydrophobicContact CD2-CD2 3.38Å; L141-L166 HydrophobicContact CD2-CG 4.37Å; T164-L166 HydrophobicContact CG2-CD2 3.98Å; L166-K177 CarbonylContact O-C 3.47Å; L166-K177 WeakPolarHBondContact O-CA 3.31Å; L166-I178 HydrophobicContact CB-CB 4.21Å; L166-I178 PolarHBondContact N-O 3.36Å; L166-I178 PolarHBondContact O-N 3.32Å; L166-I180 HydrophobicContact CD1-CD1 3.73Å; L166-I180 HydrophobicContact CG-CD1 4.36Å
167	S	90.4	Very high	87.5	Confident	75 Å²	75	95.1 Å²	95.1	52%	0.524	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	151	176.1	-54.2	0	0	0	0	110.1	Y176	S167-Y176 VanDerWaalsContact CA-O 3.31Å; S167-Y176 WeakPolarHBondContact CA-O 3.04Å
168	G	87.7	Confident	87.8	Confident	23 Å²	23	89.4 Å²	89.4	24%	0.237	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171	174.2	173.6	0	0	0	0	0	111.7	Y176	G168-Y176 VanDerWaalsContact C-CE1 3.47Å; G168-Y176 PolarHBondContact N-O 2.86Å; G168-Y176 VanDerWaalsContact O-CD1 3.25Å; G168-Y176 WeakPolarHBondContact O-CD1 3.47Å; G168-Y176 WeakPolarHBondContact O-CE1 3.49Å; G168-Y176 PolarHBondContact O-N 3.1Å
169	K	85.6	Confident	88	Confident	105 Å²	105	84.7 Å²	84.7	46%	0.457	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	140.1	174.1	-66.3	-162.3	177.6	-172.4	0	111	D173 I174 E175 Y176	K169-D173 WeakPolarHBondContact CD-OD1 3.5Å; K169-D173 IonicContact NZ-OD1 2.91Å; K169-D173 IonicContact NZ-OD2 3.39Å; K169-D173 PolarHBondContact NZ-OD2 2.78Å; K169-I174 WeakPolarHBondContact CA-O 3.42Å; K169-E175 HydrophobicContact CD-CG 4.44Å; K169-E175 HydrophobicContact CG-CG 4Å; K169-Y176 VanDerWaalsContact C-CE1 3.47Å
170	S	82.3	Confident	88.2	Confident	34 Å²	34	83.9 Å²	83.9	24%	0.238	42%	0.424	C	S	.	.			trans	-74.7	174	174.1	77.1	0	0	0	0	111.1	L172 D173 I174	S170-L172 PolarHBondContact O-N 2.64Å; S170-L172 VanDerWaalsContact O-N 3.12Å; S170-L172 PolarHBondContact OG-N 2.72Å; S170-D173 PolarHBondContact O-N 2.74Å; S170-I174 PolarHBondContact N-O 3.16Å; S170-I174 WeakPolarHBondContact OG-CB 3.5Å; S170-I174 PolarHBondContact OG-N 3.35Å; S170-I174 PolarHBondContact OG-O 2.83Å
171	K	80.1	Confident	88.6	Confident	222 Å²	222	77.2 Å²	77.2	97%	0.965	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-16	172.3	-64.8	-172.3	178.4	-173	0	113.8
172	L	82.4	Confident	89	Confident	144 Å²	144	74.2 Å²	74.2	75%	0.754	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	18.1	176.9	-61.1	172	0	0	0	111.4	S170 I174	S170-L172 PolarHBondContact O-N 2.64Å; S170-L172 VanDerWaalsContact O-N 3.12Å; S170-L172 PolarHBondContact OG-N 2.72Å; L172-I174 HydrophobicContact CB-CD1 4.29Å; L172-I174 HydrophobicContact CB-CG1 4.28Å; L172-I174 PolarHBondContact O-N 3.49Å
173	D	84.3	Confident	89.4	Confident	103 Å²	103	71.1 Å²	71.1	55%	0.551	37%	0.367	S	S	*	.			trans	58.9	9.5	-177.2	-140.3	48.9	0	0	0	116.3	K169 S170 E175	K169-D173 WeakPolarHBondContact CD-OD1 3.5Å; K169-D173 IonicContact NZ-OD1 2.91Å; K169-D173 IonicContact NZ-OD2 3.39Å; K169-D173 PolarHBondContact NZ-OD2 2.78Å; S170-D173 PolarHBondContact O-N 2.74Å; D173-E175 PolarHBondContact O-N 2.98Å
174	I	87.9	Confident	89.5	Confident	91 Å²	91	68.1 Å²	68.1	47%	0.467	36%	0.357	S	S	.	.			trans	-67.3	122.4	172.4	-55	171.1	0	0	0	109.4	P123 K169 S170 L172	P123-I174 HydrophobicContact CG-CG2 4.16Å; K169-I174 WeakPolarHBondContact CA-O 3.42Å; S170-I174 PolarHBondContact N-O 3.16Å; S170-I174 WeakPolarHBondContact OG-CB 3.5Å; S170-I174 PolarHBondContact OG-N 3.35Å; S170-I174 PolarHBondContact OG-O 2.83Å; L172-I174 HydrophobicContact CB-CD1 4.29Å; L172-I174 HydrophobicContact CB-CG1 4.28Å; L172-I174 PolarHBondContact O-N 3.49Å
175	E	90.6	Very high	89.6	Confident	137 Å²	137	71.3 Å²	71.3	64%	0.64	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	131.2	170.4	-72.6	-173.5	177.9	0	0	110.8	P123 K169 D173	P123-E175 WeakPolarHBondContact CD-O 3.4Å; K169-E175 HydrophobicContact CD-CG 4.44Å; K169-E175 HydrophobicContact CG-CG 4Å; D173-E175 PolarHBondContact O-N 2.98Å
176	Y	91.6	Very high	89.5	Confident	13 Å²	13	67.5 Å²	67.5	5%	0.051	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	146.8	172.5	64.7	-98.1	0	0	0	110.8	V122 V134 H138 S167 G168 K169 I178	V122-Y176 CarbonylContact O-C 3.59Å; V122-Y176 WeakPolarHBondContact O-CA 3.48Å; V134-Y176 HydrophobicContact CG1-CD1 4.09Å; V134-Y176 HydrophobicContact CG1-CD2 3.57Å; V134-Y176 HydrophobicContact CG1-CE1 3.94Å; V134-Y176 HydrophobicContact CG1-CE2 3.43Å; V134-Y176 VanDerWaalsContact CG1-CE2 3.43Å; V134-Y176 HydrophobicContact CG1-CG 3.92Å; H138-Y176 AromaticContact NE2-CE2 3.53Å; H138-Y176 AromaticContact NE2-CZ 3.74Å; H138-Y176 PolarHBondContact NE2-OH 2.74Å; S167-Y176 VanDerWaalsContact CA-O 3.31Å; S167-Y176 WeakPolarHBondContact CA-O 3.04Å; G168-Y176 VanDerWaalsContact C-CE1 3.47Å; G168-Y176 PolarHBondContact N-O 2.86Å; G168-Y176 VanDerWaalsContact O-CD1 3.25Å; G168-Y176 WeakPolarHBondContact O-CD1 3.47Å; G168-Y176 WeakPolarHBondContact O-CE1 3.49Å; G168-Y176 PolarHBondContact O-N 3.1Å; K169-Y176 VanDerWaalsContact C-CE1 3.47Å; Y176-I178 HydrophobicContact CD2-CD1 4.14Å; Y176-I178 HydrophobicContact CD2-CG1 3.74Å; Y176-I178 HydrophobicContact CE2-CD1 3.82Å; Y176-I178 HydrophobicContact CE2-CG1 3.91Å
177	K	92.7	Very high	89.2	Confident	121 Å²	121	69.3 Å²	69.3	53%	0.526	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.5	168.8	-64.6	-176.6	179.2	177.2	0	108.9	F121 V122 L166	F121-K177 CarbonylContact C-O 3.59Å; F121-K177 WeakPolarHBondContact CA-O 2.96Å; V122-K177 HydrophobicContact CB-CB 4.38Å; V122-K177 PolarHBondContact N-O 3.44Å; V122-K177 PolarHBondContact O-N 3.41Å; L166-K177 CarbonylContact O-C 3.47Å; L166-K177 WeakPolarHBondContact O-CA 3.31Å
178	I	94.1	Very high	88.5	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.9	175.3	-45.7	179.7	0	0	0	107.1	V119 E120 F121 V134 L135 V165 L166 Y176 I180	V119-I178 HydrophobicContact CG1-CG2 3.39Å; E120-I178 CarbonylContact O-C 3.56Å; E120-I178 WeakPolarHBondContact O-CA 3.36Å; F121-I178 HydrophobicContact CD1-CD1 4.44Å; F121-I178 HydrophobicContact CD1-CG1 3.97Å; F121-I178 HydrophobicContact CD1-CG2 4.31Å; F121-I178 HydrophobicContact CE1-CD1 4Å; F121-I178 HydrophobicContact CE1-CG1 3.99Å; F121-I178 HydrophobicContact CE1-CG2 4.02Å; F121-I178 HydrophobicContact CZ-CG2 4.33Å; V134-I178 HydrophobicContact CG1-CD1 3.94Å; V134-I178 HydrophobicContact CG1-CG1 4.43Å; L135-I178 HydrophobicContact CD1-CD1 3.96Å; L135-I178 HydrophobicContact CD1-CG2 3.98Å; V165-I178 CarbonylContact C-O 3.6Å; V165-I178 VanDerWaalsContact CA-O 3.3Å; V165-I178 WeakPolarHBondContact CA-O 3.38Å; L166-I178 HydrophobicContact CB-CB 4.21Å; L166-I178 PolarHBondContact N-O 3.36Å; L166-I178 PolarHBondContact O-N 3.32Å; Y176-I178 HydrophobicContact CD2-CD1 4.14Å; Y176-I178 HydrophobicContact CD2-CG1 3.74Å; Y176-I178 HydrophobicContact CE2-CD1 3.82Å; Y176-I178 HydrophobicContact CE2-CG1 3.91Å; I178-I180 HydrophobicContact CG2-CG1 4.09Å
179	S	93.2	Very high	87.7	Confident	25 Å²	25	70.1 Å²	70.1	18%	0.175	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	115.1	172.3	-177.9	0	0	0	0	109	V119 E120 I163	V119-S179 WeakPolarHBondContact CA-O 3.4Å; E120-S179 PolarHBondContact N-O 2.8Å; E120-S179 PolarHBondContact O-N 3.35Å; I163-S179 WeakPolarHBondContact CG2-OG 3.27Å
180	I	94.4	Very high	87.4	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	104.6	177.9	-55.5	176.9	0	0	0	107.7	Y117 H118 V119 L135 L142 L153 F159 I163 T164 L166 I178	Y117-I180 HydrophobicContact CD1-CG2 3.69Å; Y117-I180 HydrophobicContact CG-CG2 3.84Å; H118-I180 CarbonylContact O-C 3.43Å; H118-I180 WeakPolarHBondContact O-CA 3.43Å; V119-I180 HydrophobicContact CG1-CG1 4.33Å; V119-I180 HydrophobicContact CG2-CG1 4.43Å; L135-I180 HydrophobicContact CD1-CD1 4.22Å; L142-I180 HydrophobicContact CD2-CD1 3.82Å; L153-I180 HydrophobicContact CD2-CD1 4.43Å; L153-I180 HydrophobicContact CD2-CG2 3.97Å; F159-I180 HydrophobicContact CD2-CG2 4.41Å; F159-I180 HydrophobicContact CE2-CG2 4.13Å; I163-I180 WeakPolarHBondContact CA-O 3.27Å; T164-I180 PolarHBondContact N-O 3.48Å; T164-I180 PolarHBondContact O-N 2.9Å; L166-I180 HydrophobicContact CD1-CD1 3.73Å; L166-I180 HydrophobicContact CG-CD1 4.36Å; I178-I180 HydrophobicContact CG2-CG1 4.09Å
181	K	94.2	Very high	87.2	Confident	64 Å²	64	69 Å²	69	28%	0.278	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	128	-177.1	-56.4	-179.5	-175.6	163	0	110.4	Y117 H118 E120 E162 I163	Y117-K181 CarbonylContact C-O 3.52Å; Y117-K181 VanDerWaalsContact CA-O 3.25Å; Y117-K181 WeakPolarHBondContact CA-O 3.26Å; H118-K181 HydrophobicContact CB-CB 4.5Å; H118-K181 PolarHBondContact N-O 3.46Å; H118-K181 PolarHBondContact O-N 3.44Å; E120-K181 IonicContact OE1-NZ 2.75Å; E120-K181 PolarHBondContact OE1-NZ 3.47Å; E120-K181 IonicContact OE2-NZ 2.76Å; E120-K181 PolarHBondContact OE2-NZ 3.3Å; E162-K181 CarbonylContact O-C 3.57Å; E162-K181 WeakPolarHBondContact O-CA 3.48Å; I163-K181 HydrophobicContact CD1-CD 4.43Å; I163-K181 HydrophobicContact CD1-CG 4.2Å; I163-K181 HydrophobicContact CG1-CG 4.04Å; I163-K181 HydrophobicContact CG2-CG 4.19Å
182	F	94.3	Very high	87.4	Confident	58 Å²	58	64.3 Å²	64.3	25%	0.254	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	132.8	175.4	177.7	-102.7	0	0	0	110.6	V115 Y117 E162 G184 F185	V115-F182 HydrophobicContact CG1-CD2 3.83Å; V115-F182 HydrophobicContact CG1-CE2 3.49Å; V115-F182 VanDerWaalsContact CG1-CE2 3.49Å; Y117-F182 VanDerWaalsContact CD1-CA 3.47Å; Y117-F182 HydrophobicContact CD1-CB 4.1Å; Y117-F182 HydrophobicContact CD1-CD2 4.4Å; Y117-F182 HydrophobicContact CE1-CB 3.77Å; Y117-F182 AromaticContact CE1-CD2 3.68Å; Y117-F182 HydrophobicContact CE1-CD2 3.68Å; Y117-F182 HydrophobicContact CE1-CG 4.22Å; Y117-F182 AromaticContact CZ-CD2 3.89Å; E162-F182 HydrophobicContact CG-CB 4.31Å; E162-F182 PolarHBondContact O-N 3.3Å; F182-G184 VanDerWaalsContact CZ-CA 3.47Å; F182-F185 HydrophobicContact CZ-CD2 4.33Å; F182-F185 HydrophobicContact CZ-CE2 4.13Å
183	V	92.7	Very high	87.7	Confident	81 Å²	81	57.7 Å²	57.7	49%	0.491	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-43.8	176.6	-179.1	0	0	0	0	110.5	H116 H118	H116-V183 HydrophobicContact CB-CB 4.49Å; H116-V183 WeakPolarHBondContact O-CB 3.34Å; H116-V183 PolarHBondContact O-N 3.03Å; H118-V183 HydrophobicContact CB-CG2 3.9Å
184	G	91.9	Very high	87.6	Confident	19 Å²	19	53.8 Å²	53.8	20%	0.196	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.3	-171.1	-178.5	0	0	0	0	0	113.9	H116 F182	H116-G184 PolarHBondContact N-O 3.35Å; H116-G184 PolarHBondContact O-N 3.26Å; F182-G184 VanDerWaalsContact CZ-CA 3.47Å
185	F	91.1	Very high	87.4	Confident	81 Å²	81	52.5 Å²	52.5	36%	0.355	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	140.9	169.7	-61.5	-79.2	0	0	0	110	R113 V115 K158 F182 S187	R113-F185 HydrophobicContact CB-CD1 4.08Å; V115-F185 HydrophobicContact CG2-CD1 4.06Å; V115-F185 HydrophobicContact CG2-CE1 3.95Å; K158-F185 HydrophobicContact CD-CE1 4.35Å; K158-F185 HydrophobicContact CD-CZ 3.84Å; F182-F185 HydrophobicContact CZ-CD2 4.33Å; F182-F185 HydrophobicContact CZ-CE2 4.13Å; F185-S187 PolarHBondContact O-N 2.98Å
186	I	89	Confident	87.4	Confident	4 Å²	4	46 Å²	46	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	120.2	172.7	-50.8	-174.8	0	0	0	108.7	I114 H116 F154 E190 R192 F193 V196	I114-I186 HydrophobicContact CB-CB 4.32Å; I114-I186 HydrophobicContact CB-CD1 4.31Å; I114-I186 HydrophobicContact CB-CG1 4.42Å; I114-I186 HydrophobicContact CG2-CD1 3.64Å; I114-I186 HydrophobicContact CG2-CG1 4.1Å; I114-I186 PolarHBondContact O-N 3.47Å; H116-I186 HydrophobicContact CB-CD1 4.43Å; H116-I186 HydrophobicContact CB-CG1 4.09Å; F154-I186 HydrophobicContact CD1-CD1 3.55Å; F154-I186 HydrophobicContact CE1-CD1 3.56Å; I186-E190 HydrophobicContact CG2-CB 4.02Å; I186-R192 HydrophobicContact CD1-CB 4.43Å; I186-R192 HydrophobicContact CG2-CB 4.18Å; I186-F193 HydrophobicContact CG2-CB 3.74Å; I186-F193 HydrophobicContact CG2-CD2 4.29Å; I186-V196 HydrophobicContact CD1-CG2 4.15Å
187	S	82.4	Confident	87.3	Confident	55 Å²	55	45.4 Å²	45.4	39%	0.385	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-71	146.8	171.7	175.3	0	0	0	0	111.5	F185 A189 E190 F193	F185-S187 PolarHBondContact O-N 2.98Å; S187-A189 PolarHBondContact O-N 3.08Å; S187-A189 VanDerWaalsContact O-N 3.13Å; S187-A189 PolarHBondContact OG-N 3.33Å; S187-E190 WeakPolarHBondContact CB-OE1 3.46Å; S187-E190 PolarHBondContact N-OE1 2.95Å; S187-E190 WeakPolarHBondContact O-CB 3.44Å; S187-E190 PolarHBondContact O-N 3.34Å; S187-F193 WeakPolarHBondContact O-CB 3.27Å
188	C	75.4	Confident	87	Confident	66 Å²	66	40.9 Å²	40.9	45%	0.446	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.9	174.3	-61.5	0	0	0	0	113.3	E190 F193 Q243	C188-E190 VanDerWaalsContact C-N 3.34Å; C188-F193 HydrophobicContact CB-CD1 4.48Å; C188-F193 HydrophobicContact CB-CE1 4.29Å; C188-F193 HydrophobicContact CB-CZ 4.38Å; C188-Q243 HydrophobicContact CB-CG 4.43Å
189	A	71.3	Confident	86.7	Confident	49 Å²	49	44.7 Å²	44.7	41%	0.405	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-14.4	175.3	0	0	0	0	0	113.2	S187	S187-A189 PolarHBondContact O-N 3.08Å; S187-A189 VanDerWaalsContact O-N 3.13Å; S187-A189 PolarHBondContact OG-N 3.33Å
190	E	79.7	Confident	86.5	Confident	67 Å²	67	43.6 Å²	43.6	31%	0.313	24%	0.235	S	C	.	.	S	Bend	trans	-79	137.1	-178.2	-74.1	175.1	-116.4	0	0	111.9	I186 S187 C188 R192 F193	I186-E190 HydrophobicContact CG2-CB 4.02Å; S187-E190 WeakPolarHBondContact CB-OE1 3.46Å; S187-E190 PolarHBondContact N-OE1 2.95Å; S187-E190 WeakPolarHBondContact O-CB 3.44Å; S187-E190 PolarHBondContact O-N 3.34Å; C188-E190 VanDerWaalsContact C-N 3.34Å; E190-R192 PolarHBondContact O-N 3.15Å; E190-F193 WeakPolarHBondContact O-CB 3.28Å; E190-F193 PolarHBondContact O-N 3.24Å
191	P	78.9	Confident	86.2	Confident	48 Å²	48	43.9 Å²	43.9	31%	0.312	24%	0.236	S	C	.	.	H	α-helix	trans	-54.5	-29.7	173	-27.7	35.2	0	0	0	114	Y78 F193 L194 Q195	Y78-P191 HydrophobicContact CG-CG 4.49Å; P191-F193 VanDerWaalsContact C-N 3.29Å; P191-F193 PolarHBondContact O-N 3.06Å; P191-L194 PolarHBondContact O-N 3.32Å; P191-Q195 PolarHBondContact O-N 2.82Å; P191-Q195 VanDerWaalsContact O-N 3.11Å
192	R	84.1	Confident	85.8	Confident	124 Å²	124	47.2 Å²	47.2	47%	0.468	25%	0.247	S	C	.	.	H	α-helix	trans	-63.4	-34	177.6	-67	-179.4	-175	172.8	3.9	112.1	I186 E190 L194 Q195 V196	I186-R192 HydrophobicContact CD1-CB 4.43Å; I186-R192 HydrophobicContact CG2-CB 4.18Å; E190-R192 PolarHBondContact O-N 3.15Å; R192-L194 VanDerWaalsContact C-N 3.33Å; R192-L194 PolarHBondContact O-N 3.44Å; R192-Q195 WeakPolarHBondContact O-CB 3.35Å; R192-Q195 PolarHBondContact O-N 2.87Å; R192-V196 WeakPolarHBondContact O-CG2 3.45Å; R192-V196 PolarHBondContact O-N 3.39Å
193	F	87	Confident	85.5	Confident	5 Å²	5	50 Å²	50	2%	0.022	26%	0.256	C	S	.	.	H	α-helix	trans	-58.5	-48.6	175.9	-174	-101.7	0	0	0	110.8	W112 I114 I186 S187 C188 E190 P191 Q195 V196 L197 Q243 I248	W112-F193 HydrophobicContact CH2-CE2 4.28Å; W112-F193 HydrophobicContact CH2-CZ 4.43Å; W112-F193 AromaticContact CZ3-CE2 3.61Å; W112-F193 HydrophobicContact CZ3-CE2 3.61Å; W112-F193 AromaticContact CZ3-CZ 3.66Å; W112-F193 HydrophobicContact CZ3-CZ 3.66Å; I114-F193 HydrophobicContact CD1-CD2 3.8Å; I114-F193 HydrophobicContact CD1-CE2 3.85Å; I114-F193 HydrophobicContact CG1-CE2 4.5Å; I186-F193 HydrophobicContact CG2-CB 3.74Å; I186-F193 HydrophobicContact CG2-CD2 4.29Å; S187-F193 WeakPolarHBondContact O-CB 3.27Å; C188-F193 HydrophobicContact CB-CD1 4.48Å; C188-F193 HydrophobicContact CB-CE1 4.29Å; C188-F193 HydrophobicContact CB-CZ 4.38Å; E190-F193 WeakPolarHBondContact O-CB 3.28Å; E190-F193 PolarHBondContact O-N 3.24Å; P191-F193 VanDerWaalsContact C-N 3.29Å; P191-F193 PolarHBondContact O-N 3.06Å; F193-Q195 VanDerWaalsContact C-N 3.34Å; F193-Q195 PolarHBondContact O-N 2.96Å; F193-V196 PolarHBondContact O-N 3.45Å; F193-L197 HydrophobicContact CD1-CD1 3.79Å; F193-L197 HydrophobicContact CD1-CG 4.39Å; F193-L197 HydrophobicContact CE1-CD1 3.45Å; F193-L197 VanDerWaalsContact CE1-CD1 3.45Å; F193-L197 HydrophobicContact CE1-CG 4.23Å; F193-L197 HydrophobicContact CZ-CD1 4.15Å; F193-L197 WeakPolarHBondContact O-CG 3.38Å; F193-L197 PolarHBondContact O-N 3.11Å; F193-Q243 HydrophobicContact CE1-CB 4.33Å; F193-I248 HydrophobicContact CE1-CD1 4.35Å; F193-I248 HydrophobicContact CZ-CD1 4.02Å
194	L	83.4	Confident	85.4	Confident	21 Å²	21	46.1 Å²	46.1	11%	0.11	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-39.1	176.5	-176.6	69.1	0	0	0	112	Y76 P191 R192 L197 N198 I241 R242	Y76-L194 HydrophobicContact CD1-CD2 3.32Å; Y76-L194 HydrophobicContact CD1-CG 4.37Å; Y76-L194 HydrophobicContact CD2-CB 4.5Å; Y76-L194 HydrophobicContact CD2-CD2 3.91Å; Y76-L194 HydrophobicContact CD2-CG 4.32Å; Y76-L194 HydrophobicContact CE1-CD2 3.4Å; Y76-L194 HydrophobicContact CE1-CG 4.09Å; Y76-L194 HydrophobicContact CE2-CB 4.45Å; Y76-L194 HydrophobicContact CE2-CD2 3.97Å; Y76-L194 HydrophobicContact CE2-CG 4.04Å; Y76-L194 HydrophobicContact CG-CD2 3.59Å; Y76-L194 HydrophobicContact CG-CG 4.48Å; P191-L194 PolarHBondContact O-N 3.32Å; R192-L194 VanDerWaalsContact C-N 3.33Å; R192-L194 PolarHBondContact O-N 3.44Å; L194-L197 PolarHBondContact O-N 2.65Å; L194-N198 WeakPolarHBondContact O-CB 3.21Å; L194-N198 PolarHBondContact O-N 3.12Å; L194-N198 PolarHBondContact O-ND2 2.64Å; L194-I241 WeakPolarHBondContact CD1-O 3.48Å; L194-R242 HydrophobicContact CD1-CB 4.19Å; L194-R242 HydrophobicContact CD1-CG 3.73Å
195	Q	84.1	Confident	85.3	Confident	64 Å²	64	45.4 Å²	45.4	30%	0.299	22%	0.224	S	C	.	.	H	α-helix	trans	-59.9	-47.8	175	-72.3	172.1	-6.9	0	0	111.5	D74 Y76 P191 R192 F193 N198 L199	D74-Q195 PolarHBondContact O-NE2 3.29Å; Y76-Q195 HydrophobicContact CD2-CG 3.64Å; Y76-Q195 HydrophobicContact CE2-CB 4.35Å; Y76-Q195 HydrophobicContact CE2-CG 3.4Å; P191-Q195 PolarHBondContact O-N 2.82Å; P191-Q195 VanDerWaalsContact O-N 3.11Å; R192-Q195 WeakPolarHBondContact O-CB 3.35Å; R192-Q195 PolarHBondContact O-N 2.87Å; F193-Q195 VanDerWaalsContact C-N 3.34Å; F193-Q195 PolarHBondContact O-N 2.96Å; Q195-N198 PolarHBondContact O-N 3.36Å; Q195-L199 WeakPolarHBondContact O-CG 3.43Å; Q195-L199 PolarHBondContact O-N 2.83Å
196	V	89.4	Confident	85.1	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-60.6	-48.9	177.7	170	0	0	0	0	110.9	I114 L147 F154 I186 R192 F193 N198 L199 I200 W422	I114-V196 HydrophobicContact CD1-CB 4.05Å; I114-V196 HydrophobicContact CD1-CG1 3.51Å; I114-V196 HydrophobicContact CG1-CG1 4.4Å; I114-V196 HydrophobicContact CG2-CG1 4.35Å; L147-V196 HydrophobicContact CD1-CG1 4Å; F154-V196 HydrophobicContact CB-CG2 4.27Å; F154-V196 HydrophobicContact CD1-CG2 4.08Å; F154-V196 HydrophobicContact CD2-CG2 3.94Å; F154-V196 HydrophobicContact CE1-CG2 4.39Å; F154-V196 HydrophobicContact CE2-CG2 4.28Å; F154-V196 HydrophobicContact CG-CG2 3.82Å; F154-V196 HydrophobicContact CZ-CG2 4.48Å; I186-V196 HydrophobicContact CD1-CG2 4.15Å; R192-V196 WeakPolarHBondContact O-CG2 3.45Å; R192-V196 PolarHBondContact O-N 3.39Å; F193-V196 PolarHBondContact O-N 3.45Å; V196-N198 VanDerWaalsContact C-N 3.32Å; V196-N198 PolarHBondContact O-N 3.44Å; V196-L199 WeakPolarHBondContact O-CB 3.35Å; V196-L199 PolarHBondContact O-N 3.17Å; V196-L199 VanDerWaalsContact O-N 3.08Å; V196-I200 HydrophobicContact CG1-CD1 3.81Å; V196-I200 HydrophobicContact CG1-CG1 4.4Å; V196-I200 WeakPolarHBondContact O-CG1 3.41Å; V196-I200 PolarHBondContact O-N 2.95Å; V196-W422 HydrophobicContact CG1-CH2 4.12Å; V196-W422 HydrophobicContact CG1-CZ3 4.05Å
197	L	89.9	Confident	85	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-56.9	-43.2	176.8	-73.2	-178.1	0	0	0	112.7	W112 F193 L194 L199 I200 L201 I241 I248 M424	W112-L197 HydrophobicContact CH2-CD2 3.99Å; F193-L197 HydrophobicContact CD1-CD1 3.79Å; F193-L197 HydrophobicContact CD1-CG 4.39Å; F193-L197 HydrophobicContact CE1-CD1 3.45Å; F193-L197 VanDerWaalsContact CE1-CD1 3.45Å; F193-L197 HydrophobicContact CE1-CG 4.23Å; F193-L197 HydrophobicContact CZ-CD1 4.15Å; F193-L197 WeakPolarHBondContact O-CG 3.38Å; F193-L197 PolarHBondContact O-N 3.11Å; L194-L197 PolarHBondContact O-N 2.65Å; L197-L199 VanDerWaalsContact C-N 3.33Å; L197-L199 PolarHBondContact O-N 2.99Å; L197-I200 HydrophobicContact CD2-CD1 4.48Å; L197-I200 PolarHBondContact O-N 3Å; L197-L201 WeakPolarHBondContact O-CB 3.44Å; L197-L201 PolarHBondContact O-N 2.9Å; L197-I241 HydrophobicContact CB-CD1 3.96Å; L197-I241 HydrophobicContact CB-CG1 4.11Å; L197-I241 HydrophobicContact CB-CG2 4.05Å; L197-I241 HydrophobicContact CD1-CD1 4.49Å; L197-I241 HydrophobicContact CD1-CG1 4.29Å; L197-I241 HydrophobicContact CD2-CD1 4.14Å; L197-I241 HydrophobicContact CG-CD1 4.44Å; L197-I248 HydrophobicContact CD1-CD1 4.21Å; L197-I248 HydrophobicContact CD1-CG1 4.39Å; L197-I248 HydrophobicContact CD1-CG2 3.95Å; L197-I248 HydrophobicContact CD2-CD1 4.23Å; L197-M424 HydrophobicContact CD2-CE 3.8Å; L197-M424 HydrophobicContact CD2-SD 4.45Å
198	N	87.4	Confident	85.3	Confident	25 Å²	25	47.8 Å²	47.8	13%	0.134	23%	0.234	C	C	.	.	H	α-helix	trans	-65.6	-35.5	177	-82.6	-77	0	0	0	112.5	Y76 L194 Q195 V196 R202 I241	Y76-N198 PolarHBondContact OH-ND2 2.72Å; Y76-N198 VanDerWaalsContact OH-ND2 3.07Å; L194-N198 WeakPolarHBondContact O-CB 3.21Å; L194-N198 PolarHBondContact O-N 3.12Å; L194-N198 PolarHBondContact O-ND2 2.64Å; Q195-N198 PolarHBondContact O-N 3.36Å; V196-N198 VanDerWaalsContact C-N 3.32Å; V196-N198 PolarHBondContact O-N 3.44Å; N198-R202 WeakPolarHBondContact O-CB 3.42Å; N198-R202 WeakPolarHBondContact O-CG 3.44Å; N198-R202 PolarHBondContact O-N 2.85Å; N198-I241 HydrophobicContact CB-CG2 4.42Å
199	L	86.3	Confident	85.9	Confident	81 Å²	81	48.7 Å²	48.7	42%	0.424	23%	0.234	S	C	.	.	H	α-helix	trans	-68.2	-42.1	175.6	-73	171.9	0	0	0	111.8	L147 Q195 V196 L197 R202 R203	L147-L199 HydrophobicContact CD1-CB 3.52Å; L147-L199 HydrophobicContact CD1-CD1 3.95Å; L147-L199 HydrophobicContact CD1-CG 4.4Å; L147-L199 HydrophobicContact CD2-CB 4.17Å; Q195-L199 WeakPolarHBondContact O-CG 3.43Å; Q195-L199 PolarHBondContact O-N 2.83Å; V196-L199 WeakPolarHBondContact O-CB 3.35Å; V196-L199 PolarHBondContact O-N 3.17Å; V196-L199 VanDerWaalsContact O-N 3.08Å; L197-L199 VanDerWaalsContact C-N 3.33Å; L197-L199 PolarHBondContact O-N 2.99Å; L199-R202 PolarHBondContact O-N 2.9Å; L199-R203 WeakPolarHBondContact O-CB 3.37Å; L199-R203 PolarHBondContact O-N 3.49Å
200	I	89.8	Confident	86.8	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-59	-50.7	173.9	-63.6	163.8	0	0	0	109.6	L147 V196 L197 R202 R203 S204 V418 L419 W422 M424	L147-I200 HydrophobicContact CD1-CG1 4.24Å; V196-I200 HydrophobicContact CG1-CD1 3.81Å; V196-I200 HydrophobicContact CG1-CG1 4.4Å; V196-I200 WeakPolarHBondContact O-CG1 3.41Å; V196-I200 PolarHBondContact O-N 2.95Å; L197-I200 HydrophobicContact CD2-CD1 4.48Å; L197-I200 PolarHBondContact O-N 3Å; I200-R202 PolarHBondContact O-N 3.34Å; I200-R203 PolarHBondContact O-N 3.29Å; I200-R203 VanDerWaalsContact O-N 3.14Å; I200-S204 PolarHBondContact O-N 2.79Å; I200-V418 HydrophobicContact CG2-CG1 4.38Å; I200-L419 HydrophobicContact CG2-CD2 4.29Å; I200-W422 HydrophobicContact CD1-CB 4.5Å; I200-W422 HydrophobicContact CD1-CD2 3.35Å; I200-W422 HydrophobicContact CD1-CE3 3.32Å; I200-W422 HydrophobicContact CD1-CG 3.88Å; I200-W422 HydrophobicContact CD1-CH2 4.18Å; I200-W422 HydrophobicContact CD1-CZ2 4.23Å; I200-W422 HydrophobicContact CD1-CZ3 3.75Å; I200-W422 HydrophobicContact CG1-CD2 3.71Å; I200-W422 HydrophobicContact CG1-CE3 4.14Å; I200-W422 HydrophobicContact CG1-CG 4.08Å; I200-W422 HydrophobicContact CG1-CH2 4.46Å; I200-W422 HydrophobicContact CG1-CZ2 4.09Å; I200-W422 HydrophobicContact CG1-CZ3 4.48Å; I200-W422 HydrophobicContact CG2-CG 4.13Å; I200-M424 HydrophobicContact CD1-SD 4.44Å; I200-M424 HydrophobicContact CG2-SD 4.34Å
201	L	88.8	Confident	87	Confident	6 Å²	6	47 Å²	47	3%	0.031	22%	0.218	C	C	.	.	H	α-helix	trans	-59.1	-48.4	178.9	-174.1	71.4	0	0	0	111.4	L197 R203 S204 M205 I241 L250	L197-L201 WeakPolarHBondContact O-CB 3.44Å; L197-L201 PolarHBondContact O-N 2.9Å; L201-R203 VanDerWaalsContact C-N 3.27Å; L201-R203 PolarHBondContact O-N 3.17Å; L201-S204 PolarHBondContact O-N 2.68Å; L201-S204 VanDerWaalsContact O-N 3.17Å; L201-M205 HydrophobicContact CD1-CE 3.48Å; L201-M205 VanDerWaalsContact CD1-CE 3.48Å; L201-M205 HydrophobicContact CD1-CG 4.44Å; L201-M205 HydrophobicContact CG-CE 4.03Å; L201-M205 HydrophobicContact CG-CG 4.23Å; L201-M205 WeakPolarHBondContact O-CB 3.26Å; L201-M205 WeakPolarHBondContact O-CG 3.02Å; L201-M205 PolarHBondContact O-N 3.01Å; L201-I241 HydrophobicContact CB-CG2 4.01Å; L201-I241 HydrophobicContact CD2-CB 3.97Å; L201-I241 HydrophobicContact CD2-CG2 3.77Å; L201-I241 HydrophobicContact CG-CG2 4.48Å; L201-L250 HydrophobicContact CD1-CD1 3.64Å; L201-L250 HydrophobicContact CD1-CD2 3.88Å; L201-L250 HydrophobicContact CD1-CG 4.38Å; L201-L250 HydrophobicContact CD2-CD1 3.57Å; L201-L250 HydrophobicContact CG-CD1 4.26Å
202	R	85.7	Confident	87.1	Confident	133 Å²	133	49.3 Å²	49.3	50%	0.502	23%	0.228	S	C	.	.	H	α-helix	trans	-58.6	-38.6	177.1	-77.1	176.3	-176	-178.7	6.8	111.9	D74 N198 L199 I200 K206	D74-R202 IonicContact OD2-NH2 2.99Å; N198-R202 WeakPolarHBondContact O-CB 3.42Å; N198-R202 WeakPolarHBondContact O-CG 3.44Å; N198-R202 PolarHBondContact O-N 2.85Å; L199-R202 PolarHBondContact O-N 2.9Å; I200-R202 PolarHBondContact O-N 3.34Å; R202-K206 WeakPolarHBondContact O-CG 3.3Å; R202-K206 PolarHBondContact O-N 3.21Å
203	R	87.1	Confident	86.8	Confident	116 Å²	116	43.7 Å²	43.7	44%	0.438	21%	0.207	S	C	.	.	H	α-helix	trans	-68.4	-41.2	176.8	-172.4	178.8	-179.4	171.5	-2.5	111.6	Y146 L199 I200 L201 K206 V418	Y146-R203 PolarHBondContact O-NH1 3.42Å; L199-R203 WeakPolarHBondContact O-CB 3.37Å; L199-R203 PolarHBondContact O-N 3.49Å; I200-R203 PolarHBondContact O-N 3.29Å; I200-R203 VanDerWaalsContact O-N 3.14Å; L201-R203 VanDerWaalsContact C-N 3.27Å; L201-R203 PolarHBondContact O-N 3.17Å; R203-K206 WeakPolarHBondContact O-CB 3.42Å; R203-K206 PolarHBondContact O-N 2.89Å; R203-V418 HydrophobicContact CB-CG1 4.02Å; R203-V418 HydrophobicContact CG-CG1 3.99Å; R203-V418 HydrophobicContact CG-CG2 3.95Å
204	S	90.4	Very high	86.2	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.7	-47.6	174.9	-179.1	0	0	0	0	110.9	I200 L201 K206 G207 S415	I200-S204 PolarHBondContact O-N 2.79Å; L201-S204 PolarHBondContact O-N 2.68Å; L201-S204 VanDerWaalsContact O-N 3.17Å; S204-K206 PolarHBondContact O-N 3.33Å; S204-K206 VanDerWaalsContact O-N 3.11Å; S204-G207 PolarHBondContact O-N 3.34Å; S204-S415 WeakPolarHBondContact O-CB 3.41Å; S204-S415 PolarHBondContact O-OG 3.18Å; S204-S415 PolarHBondContact OG-O 3.22Å
205	M	89.1	Confident	85.7	Confident	4 Å²	4	55 Å²	55	2%	0.02	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-22.8	-180	-67.3	-68	169	0	0	114.3	L201 G207 L208 L217 T239 L250 F405 L409	L201-M205 HydrophobicContact CD1-CE 3.48Å; L201-M205 VanDerWaalsContact CD1-CE 3.48Å; L201-M205 HydrophobicContact CD1-CG 4.44Å; L201-M205 HydrophobicContact CG-CE 4.03Å; L201-M205 HydrophobicContact CG-CG 4.23Å; L201-M205 WeakPolarHBondContact O-CB 3.26Å; L201-M205 WeakPolarHBondContact O-CG 3.02Å; L201-M205 PolarHBondContact O-N 3.01Å; M205-G207 PolarHBondContact O-N 2.84Å; M205-L208 WeakPolarHBondContact O-CB 3.49Å; M205-L208 PolarHBondContact O-N 3.13Å; M205-L208 HydrophobicContact SD-CD1 3.98Å; M205-L217 HydrophobicContact CB-CD1 3.63Å; M205-L217 HydrophobicContact CG-CD1 3.65Å; M205-L217 HydrophobicContact SD-CD1 3.86Å; M205-T239 HydrophobicContact CE-CG2 4.07Å; M205-L250 HydrophobicContact CE-CD2 4.19Å; M205-F405 HydrophobicContact CE-CE1 4.4Å; M205-F405 HydrophobicContact CE-CZ 3.77Å; M205-F405 HydrophobicContact SD-CE2 4.4Å; M205-F405 HydrophobicContact SD-CZ 3.87Å; M205-L409 HydrophobicContact CE-CD1 4.44Å; M205-L409 HydrophobicContact CE-CD2 3.86Å; M205-L409 HydrophobicContact SD-CD1 4.12Å
206	K	87.1	Confident	85.9	Confident	164 Å²	164	53 Å²	53	71%	0.713	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-62.1	-30.1	173.3	-75.6	176.9	-179.2	-176	0	112.5	R202 R203 S204 L208 N209	R202-K206 WeakPolarHBondContact O-CG 3.3Å; R202-K206 PolarHBondContact O-N 3.21Å; R203-K206 WeakPolarHBondContact O-CB 3.42Å; R203-K206 PolarHBondContact O-N 2.89Å; S204-K206 PolarHBondContact O-N 3.33Å; S204-K206 VanDerWaalsContact O-N 3.11Å; K206-L208 PolarHBondContact O-N 2.8Å; K206-N209 PolarHBondContact O-N 3.41Å; K206-N209 VanDerWaalsContact O-N 3.11Å
207	G	87.9	Confident	85.8	Confident	22 Å²	22	53.9 Å²	53.9	23%	0.227	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-61.8	-30.9	176.4	0	0	0	0	0	112.4	S204 M205 N209 T412 S415	S204-G207 PolarHBondContact O-N 3.34Å; M205-G207 PolarHBondContact O-N 2.84Å; G207-N209 PolarHBondContact O-N 3.03Å; G207-T412 WeakPolarHBondContact O-CG2 3.48Å; G207-S415 WeakPolarHBondContact CA-OG 3.44Å
208	L	88.6	Confident	85.8	Confident	5 Å²	5	54.1 Å²	54.1	3%	0.026	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-69.5	-11.5	177.3	-65.4	-173.9	0	0	0	114.3	M205 K206 L210 F405 R408 L409 T412 S415	M205-L208 WeakPolarHBondContact O-CB 3.49Å; M205-L208 PolarHBondContact O-N 3.13Å; M205-L208 HydrophobicContact SD-CD1 3.98Å; K206-L208 PolarHBondContact O-N 2.8Å; L208-L210 VanDerWaalsContact C-N 3.26Å; L208-L210 HydrophobicContact CB-CD1 4.08Å; L208-L210 HydrophobicContact CB-CG 3.82Å; L208-L210 HydrophobicContact CD1-CD1 3.87Å; L208-L210 PolarHBondContact O-N 2.78Å; L208-F405 HydrophobicContact CD1-CD2 4.46Å; L208-F405 HydrophobicContact CD1-CE2 3.72Å; L208-F405 HydrophobicContact CD1-CZ 4.35Å; L208-R408 HydrophobicContact CD2-CG 3.8Å; L208-R408 PolarHBondContact O-NH2 3.16Å; L208-L409 HydrophobicContact CD1-CB 4.47Å; L208-L409 HydrophobicContact CD1-CD1 3.79Å; L208-L409 HydrophobicContact CD2-CB 4.44Å; L208-L409 HydrophobicContact CD2-CD1 4.11Å; L208-L409 HydrophobicContact CG-CD1 3.83Å; L208-T412 HydrophobicContact CD2-CG2 4.39Å; L208-T412 WeakPolarHBondContact CD2-OG1 3.47Å; L208-S415 PolarHBondContact N-OG 3.09Å
209	N	88.8	Confident	85.8	Confident	84 Å²	84	53.6 Å²	53.6	45%	0.449	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	42.4	-176.1	-155.4	4.3	0	0	0	112.8	K206 G207 R221	K206-N209 PolarHBondContact O-N 3.41Å; K206-N209 VanDerWaalsContact O-N 3.11Å; G207-N209 PolarHBondContact O-N 3.03Å; N209-R221 PolarHBondContact ND2-NH2 3.45Å
210	L	88.5	Confident	85.7	Confident	17 Å²	17	51.1 Å²	51.1	9%	0.089	25%	0.248	C	C	.	.			trans	-91.1	148.2	173.1	-61.9	177.9	0	0	0	110.4	L208 L217 F218 D219 Y237	L208-L210 VanDerWaalsContact C-N 3.26Å; L208-L210 HydrophobicContact CB-CD1 4.08Å; L208-L210 HydrophobicContact CB-CG 3.82Å; L208-L210 HydrophobicContact CD1-CD1 3.87Å; L208-L210 PolarHBondContact O-N 2.78Å; L210-L217 HydrophobicContact CB-CB 4.02Å; L210-L217 HydrophobicContact CB-CD2 4.46Å; L210-L217 HydrophobicContact CD1-CB 3.92Å; L210-F218 CarbonylContact C-O 3.52Å; L210-D219 HydrophobicContact CD2-CB 3.62Å; L210-Y237 HydrophobicContact CD1-CD2 4Å; L210-Y237 HydrophobicContact CD1-CE2 4.37Å
211	E	84.3	Confident	85.4	Confident	63 Å²	63	60.3 Å²	60.3	29%	0.294	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.3	179	-67	-62.5	160	0	0	111.2	V213 L217 F218 P220 N297	E211-V213 PolarHBondContact O-N 3.03Å; E211-L217 CarbonylContact O-C 3.56Å; E211-L217 WeakPolarHBondContact O-CA 3.42Å; E211-F218 PolarHBondContact N-O 2.8Å; E211-F218 PolarHBondContact O-N 3.08Å; E211-P220 HydrophobicContact CB-CG 3.97Å; E211-P220 HydrophobicContact CG-CG 3.37Å; E211-N297 HydrophobicContact CB-CB 4.3Å; E211-N297 HydrophobicContact CG-CB 4.34Å; E211-N297 WeakPolarHBondContact CG-ND2 3.29Å; E211-N297 PolarHBondContact OE1-ND2 2.68Å; E211-N297 PolarHBondContact OE2-ND2 2.65Å
212	L	81.2	Confident	85.2	Confident	98 Å²	98	62.3 Å²	62.3	51%	0.513	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	107.1	175.6	-179.6	67	0	0	0	109.9	L217	L212-L217 HydrophobicContact CB-CD2 4.22Å; L212-L217 HydrophobicContact CD1-CD2 4.02Å
213	V	77.6	Confident	85.3	Confident	5 Å²	5	59.7 Å²	59.7	3%	0.03	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	105.3	175.3	-173.5	0	0	0	0	109.4	E211 R215 N216 F218 W234 K257 L292 T299	E211-V213 PolarHBondContact O-N 3.03Å; V213-R215 PolarHBondContact O-N 2.89Å; V213-N216 PolarHBondContact N-O 2.73Å; V213-N216 PolarHBondContact O-N 3.47Å; V213-F218 HydrophobicContact CB-CD2 3.61Å; V213-F218 HydrophobicContact CB-CE2 3.87Å; V213-F218 HydrophobicContact CG2-CD2 3.9Å; V213-W234 HydrophobicContact CG2-CZ3 4.43Å; V213-K257 HydrophobicContact CG1-CD 4.37Å; V213-L292 HydrophobicContact CG1-CD1 4.23Å; V213-T299 HydrophobicContact CG1-CG2 3.65Å
214	G	75.1	Confident	85.4	Confident	54 Å²	54	56.6 Å²	56.6	56%	0.557	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	-108.4	-171.1	0	0	0	0	0	110.8
215	R	73.5	Confident	85.3	Confident	209 Å²	209	60.4 Å²	60.4	79%	0.789	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-6.6	178.4	-65	-177.9	179.3	172.6	-1.8	113.8	V213	V213-R215 PolarHBondContact O-N 2.89Å
216	N	86.8	Confident	85.3	Confident	24 Å²	24	60.9 Å²	60.9	13%	0.128	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	152.1	-170.4	-63.5	-5.4	0	0	0	110.2	V213 F218 E238 T255	V213-N216 PolarHBondContact N-O 2.73Å; V213-N216 PolarHBondContact O-N 3.47Å; N216-F218 HydrophobicContact CB-CD2 4.4Å; N216-F218 HydrophobicContact CB-CE2 3.56Å; N216-F218 HydrophobicContact CB-CZ 3.78Å; N216-E238 PolarHBondContact ND2-OE2 2.77Å; N216-E238 VanDerWaalsContact ND2-OE2 3.09Å; N216-E238 WeakPolarHBondContact OD1-CG 3.47Å; N216-T255 HydrophobicContact CB-CG2 4.16Å
217	L	88.4	Confident	85.3	Confident	19 Å²	19	62.7 Å²	62.7	10%	0.099	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.6	-178.8	-63.2	167.9	0	0	0	108.8	M205 L210 E211 L212 G236 Y237	M205-L217 HydrophobicContact CB-CD1 3.63Å; M205-L217 HydrophobicContact CG-CD1 3.65Å; M205-L217 HydrophobicContact SD-CD1 3.86Å; L210-L217 HydrophobicContact CB-CB 4.02Å; L210-L217 HydrophobicContact CB-CD2 4.46Å; L210-L217 HydrophobicContact CD1-CB 3.92Å; E211-L217 CarbonylContact O-C 3.56Å; E211-L217 WeakPolarHBondContact O-CA 3.42Å; L212-L217 HydrophobicContact CB-CD2 4.22Å; L212-L217 HydrophobicContact CD1-CD2 4.02Å; L217-G236 CarbonylContact O-C 3.57Å; L217-G236 WeakPolarHBondContact O-CA 3.48Å; L217-Y237 PolarHBondContact N-O 3.17Å; L217-Y237 PolarHBondContact O-N 2.86Å
218	F	89.4	Confident	85.2	Confident	5 Å²	5	69.5 Å²	69.5	2%	0.022	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	155.2	-179.8	-65	-83.7	0	0	0	110.9	L210 E211 V213 N216 P220 W234 P235 T255 K257	L210-F218 CarbonylContact C-O 3.52Å; E211-F218 PolarHBondContact N-O 2.8Å; E211-F218 PolarHBondContact O-N 3.08Å; V213-F218 HydrophobicContact CB-CD2 3.61Å; V213-F218 HydrophobicContact CB-CE2 3.87Å; V213-F218 HydrophobicContact CG2-CD2 3.9Å; N216-F218 HydrophobicContact CB-CD2 4.4Å; N216-F218 HydrophobicContact CB-CE2 3.56Å; N216-F218 HydrophobicContact CB-CZ 3.78Å; F218-P220 WeakPolarHBondContact O-CD 3.48Å; F218-W234 HydrophobicContact CB-CB 4.29Å; F218-W234 HydrophobicContact CB-CE3 4.25Å; F218-W234 HydrophobicContact CD1-CB 4.34Å; F218-W234 WeakPolarHBondContact CD1-O 3.35Å; F218-P235 WeakPolarHBondContact CA-O 3.29Å; F218-T255 HydrophobicContact CE1-CG2 3.67Å; F218-T255 HydrophobicContact CZ-CG2 3.86Å; F218-K257 HydrophobicContact CD1-CB 3.82Å; F218-K257 HydrophobicContact CE1-CB 3.6Å; F218-K257 HydrophobicContact CE2-CB 4.32Å; F218-K257 HydrophobicContact CE2-CD 4.29Å; F218-K257 HydrophobicContact CG-CB 4.29Å; F218-K257 HydrophobicContact CZ-CB 3.86Å; F218-K257 HydrophobicContact CZ-CD 4.13Å
219	D	88.5	Confident	85.1	Confident	14 Å²	14	71.4 Å²	71.4	8%	0.075	34%	0.34	C	S	.	.			trans	-109.9	96.7	175.7	-162.8	-30.6	0	0	0	109.6	L210 R221 A222 P235 R408	L210-D219 HydrophobicContact CD2-CB 3.62Å; D219-R221 PolarHBondContact O-N 3.43Å; D219-R221 WeakPolarHBondContact OD1-CB 3.43Å; D219-R221 PolarHBondContact OD1-N 2.89Å; D219-A222 HydrophobicContact CB-CB 4.08Å; D219-A222 PolarHBondContact O-N 3Å; D219-A222 PolarHBondContact OD1-N 2.87Å; D219-P235 PolarHBondContact N-O 3.46Å; D219-R408 IonicContact OD2-CZ 2.68Å; D219-R408 IonicContact OD2-NH1 3.75Å; D219-R408 PolarHBondContact OD2-NH1 3.42Å; D219-R408 IonicContact OD2-NH2 3.41Å; D219-R408 PolarHBondContact OD2-NH2 3.06Å
220	P	83.6	Confident	85	Confident	30 Å²	30	74.6 Å²	74.6	20%	0.195	35%	0.35	C	S	.	.	S	Bend	trans	-65.9	-22.7	177.6	-12.9	24	0	0	0	112.9	E211 F218 A222 K223 W234	E211-P220 HydrophobicContact CB-CG 3.97Å; E211-P220 HydrophobicContact CG-CG 3.37Å; F218-P220 WeakPolarHBondContact O-CD 3.48Å; P220-A222 VanDerWaalsContact C-N 3.34Å; P220-K223 WeakPolarHBondContact O-CB 3.15Å; P220-K223 WeakPolarHBondContact O-CG 3.37Å; P220-K223 PolarHBondContact O-N 3.41Å; P220-W234 HydrophobicContact CB-CD2 4.2Å; P220-W234 HydrophobicContact CB-CE3 4.15Å; P220-W234 HydrophobicContact CB-CH2 3.9Å; P220-W234 HydrophobicContact CB-CZ2 3.95Å; P220-W234 HydrophobicContact CB-CZ3 4.01Å; P220-W234 HydrophobicContact CG-CE3 4.03Å; P220-W234 HydrophobicContact CG-CH2 4.06Å; P220-W234 HydrophobicContact CG-CZ3 3.77Å
221	R	83.5	Confident	84.9	Confident	194 Å²	194	74 Å²	74	73%	0.732	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-30.9	-179.8	-56	177.6	-175.9	172.2	4.3	110.9	N209 D219 K223	N209-R221 PolarHBondContact ND2-NH2 3.45Å; D219-R221 PolarHBondContact O-N 3.43Å; D219-R221 WeakPolarHBondContact OD1-CB 3.43Å; D219-R221 PolarHBondContact OD1-N 2.89Å; R221-K223 VanDerWaalsContact C-N 3.28Å; R221-K223 PolarHBondContact O-N 3.22Å
222	A	84.4	Confident	85.2	Confident	48 Å²	48	71.6 Å²	71.6	40%	0.397	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	23.4	175.2	0	0	0	0	0	113.2	D219 P220 P235	D219-A222 HydrophobicContact CB-CB 4.08Å; D219-A222 PolarHBondContact O-N 3Å; D219-A222 PolarHBondContact OD1-N 2.87Å; P220-A222 VanDerWaalsContact C-N 3.34Å; A222-P235 HydrophobicContact CB-CG 3.8Å; A222-P235 WeakPolarHBondContact O-CD 3.44Å; A222-P235 VanDerWaalsContact O-CG 3.28Å; A222-P235 WeakPolarHBondContact O-CG 3.45Å
223	K	87.9	Confident	85.6	Confident	79 Å²	79	67 Å²	67	34%	0.343	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-60.7	142.4	-179.8	66.6	177.2	-168.1	153.6	0	111.9	P220 R221 E225 E232 W234	P220-K223 WeakPolarHBondContact O-CB 3.15Å; P220-K223 WeakPolarHBondContact O-CG 3.37Å; P220-K223 PolarHBondContact O-N 3.41Å; R221-K223 VanDerWaalsContact C-N 3.28Å; R221-K223 PolarHBondContact O-N 3.22Å; K223-E225 VanDerWaalsContact CE-OE1 3.3Å; K223-E225 WeakPolarHBondContact CE-OE1 3.38Å; K223-E225 IonicContact NZ-OE1 3Å; K223-E225 PolarHBondContact NZ-OE1 3.45Å; K223-E232 VanDerWaalsContact CD-OE2 3.3Å; K223-E232 WeakPolarHBondContact CD-OE2 3.42Å; K223-E232 IonicContact NZ-OE1 2.85Å; K223-E232 IonicContact NZ-OE2 3.4Å; K223-E232 PolarHBondContact NZ-OE2 2.95Å; K223-W234 HydrophobicContact CB-CG 4.5Å
224	I	88.6	Confident	86.2	Confident	51 Å²	51	67.3 Å²	67.3	26%	0.262	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	117.7	174.7	-56.8	175.7	0	0	0	108	E232 L233 Y390	I224-E232 CarbonylContact O-C 3.59Å; I224-E232 WeakPolarHBondContact O-CA 3.4Å; I224-L233 HydrophobicContact CB-CB 4.37Å; I224-L233 HydrophobicContact CD1-CD2 4.34Å; I224-L233 PolarHBondContact N-O 3.41Å; I224-L233 PolarHBondContact O-N 2.85Å; I224-Y390 HydrophobicContact CD1-CD1 3.78Å; I224-Y390 HydrophobicContact CD1-CE1 4.33Å; I224-Y390 HydrophobicContact CD1-CG 4.33Å; I224-Y390 HydrophobicContact CG2-CD1 4.09Å; I224-Y390 HydrophobicContact CG2-CD2 4.49Å; I224-Y390 HydrophobicContact CG2-CE1 3.84Å; I224-Y390 HydrophobicContact CG2-CE2 4.27Å; I224-Y390 HydrophobicContact CG2-CG 4.41Å
225	E	89.3	Confident	86.9	Confident	79 Å²	79	66 Å²	66	37%	0.369	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	128.4	178	-55.1	-166.2	153.8	0	0	111	K223 R227 E232	K223-E225 VanDerWaalsContact CE-OE1 3.3Å; K223-E225 WeakPolarHBondContact CE-OE1 3.38Å; K223-E225 IonicContact NZ-OE1 3Å; K223-E225 PolarHBondContact NZ-OE1 3.45Å; E225-R227 HydrophobicContact CB-CG 4.26Å; E225-R227 IonicContact OE2-CZ 3.29Å; E225-R227 IonicContact OE2-NE 2.67Å; E225-R227 PolarHBondContact OE2-NE 2.87Å; E225-R227 IonicContact OE2-NH2 3.02Å; E225-R227 PolarHBondContact OE2-NH2 3.23Å; E225-E232 HydrophobicContact CG-CG 4.16Å
226	I	88.6	Confident	87.8	Confident	14 Å²	14	56.1 Å²	56.1	7%	0.072	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	77.2	171.6	-50.3	179.4	0	0	0	107	E228 F229 K230 M231 M387 Y390	I226-E228 VanDerWaalsContact C-N 3.31Å; I226-E228 PolarHBondContact O-N 2.89Å; I226-F229 HydrophobicContact CG2-CB 4.47Å; I226-F229 HydrophobicContact CG2-CD2 3.71Å; I226-F229 PolarHBondContact O-N 2.87Å; I226-F229 VanDerWaalsContact O-N 3.15Å; I226-K230 PolarHBondContact O-N 3.31Å; I226-M231 CarbonylContact C-O 3.59Å; I226-M231 HydrophobicContact CB-CB 4.41Å; I226-M231 PolarHBondContact N-O 2.91Å; I226-M231 PolarHBondContact O-N 2.71Å; I226-M387 HydrophobicContact CD1-CG 3.84Å; I226-Y390 HydrophobicContact CD1-CD2 4.27Å; I226-Y390 HydrophobicContact CD1-CE2 4.38Å; I226-Y390 HydrophobicContact CG1-CE2 4.48Å
227	R	86.1	Confident	88	Confident	202 Å²	202	56.6 Å²	56.6	76%	0.762	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-59.7	-38.9	-170.4	-65.8	-175.8	177.1	-176.9	-0.6	113.1	E225 F229 K230	E225-R227 HydrophobicContact CB-CG 4.26Å; E225-R227 IonicContact OE2-CZ 3.29Å; E225-R227 IonicContact OE2-NE 2.67Å; E225-R227 PolarHBondContact OE2-NE 2.87Å; E225-R227 IonicContact OE2-NH2 3.02Å; E225-R227 PolarHBondContact OE2-NH2 3.23Å; R227-F229 PolarHBondContact O-N 3.49Å; R227-F229 VanDerWaalsContact O-N 3.08Å; R227-K230 PolarHBondContact O-N 2.8Å
228	E	86.5	Confident	88.1	Confident	166 Å²	166	58.4 Å²	58.4	78%	0.776	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-52.6	-32	177.7	-64.5	174.5	-171.7	0	0	113.1	I226	I226-E228 VanDerWaalsContact C-N 3.31Å; I226-E228 PolarHBondContact O-N 2.89Å
229	F	85.7	Confident	88.1	Confident	44 Å²	44	59.7 Å²	59.7	19%	0.193	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-116.7	15.5	-178.2	-56.4	-79.2	0	0	0	113.5	I226 R227 M231 Q382 L383 A386	I226-F229 HydrophobicContact CG2-CB 4.47Å; I226-F229 HydrophobicContact CG2-CD2 3.71Å; I226-F229 PolarHBondContact O-N 2.87Å; I226-F229 VanDerWaalsContact O-N 3.15Å; R227-F229 PolarHBondContact O-N 3.49Å; R227-F229 VanDerWaalsContact O-N 3.08Å; F229-M231 VanDerWaalsContact C-N 3.28Å; F229-M231 HydrophobicContact CB-CE 3.74Å; F229-M231 WeakPolarHBondContact O-CE 3.49Å; F229-M231 PolarHBondContact O-N 3.01Å; F229-Q382 HydrophobicContact CE1-CB 4.34Å; F229-Q382 HydrophobicContact CZ-CB 3.86Å; F229-L383 HydrophobicContact CB-CD1 3.74Å; F229-L383 HydrophobicContact CD1-CB 3.84Å; F229-L383 HydrophobicContact CD1-CD1 4.22Å; F229-L383 HydrophobicContact CD1-CG 4.48Å; F229-L383 HydrophobicContact CD2-CB 4.49Å; F229-L383 HydrophobicContact CD2-CD1 4.02Å; F229-L383 HydrophobicContact CE1-CB 3.88Å; F229-L383 HydrophobicContact CG-CB 4.17Å; F229-L383 HydrophobicContact CG-CD1 3.73Å; F229-L383 HydrophobicContact CG-CG 4.47Å; F229-L383 HydrophobicContact CZ-CB 4.25Å; F229-A386 HydrophobicContact CD2-CB 4.4Å; F229-A386 HydrophobicContact CE2-CB 3.95Å
230	K	86.8	Confident	88.1	Confident	151 Å²	151	60.9 Å²	60.9	66%	0.657	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	48.2	-178.8	-60.2	-175.1	178.2	-175.3	0	112.5	I226 R227 T261	I226-K230 PolarHBondContact O-N 3.31Å; R227-K230 PolarHBondContact O-N 2.8Å; K230-T261 WeakPolarHBondContact O-CB 3.5Å; K230-T261 PolarHBondContact O-N 3.04Å; K230-T261 PolarHBondContact O-OG1 3.45Å
231	M	87.7	Confident	88.3	Confident	6 Å²	6	59.6 Å²	59.6	3%	0.03	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	152.3	-178.8	-85.7	179.2	-107.6	0	0	112.5	I226 F229 V258 M259 L373 M377 L383 M387	I226-M231 CarbonylContact C-O 3.59Å; I226-M231 HydrophobicContact CB-CB 4.41Å; I226-M231 PolarHBondContact N-O 2.91Å; I226-M231 PolarHBondContact O-N 2.71Å; F229-M231 VanDerWaalsContact C-N 3.28Å; F229-M231 HydrophobicContact CB-CE 3.74Å; F229-M231 WeakPolarHBondContact O-CE 3.49Å; F229-M231 PolarHBondContact O-N 3.01Å; M231-V258 HydrophobicContact SD-CG1 3.95Å; M231-M259 CarbonylContact C-O 3.57Å; M231-M259 WeakPolarHBondContact CA-O 3.13Å; M231-L373 HydrophobicContact CE-CD2 4.41Å; M231-L373 HydrophobicContact SD-CD2 3.64Å; M231-M377 HydrophobicContact CE-CE 3.06Å; M231-M377 HydrophobicContact CG-CE 4.41Å; M231-M377 HydrophobicContact SD-CE 3.53Å; M231-M377 VanDerWaalsContact SD-CE 3.53Å; M231-L383 HydrophobicContact CE-CD1 3.33Å; M231-L383 HydrophobicContact CE-CD2 3.45Å; M231-L383 VanDerWaalsContact CE-CD2 3.45Å; M231-L383 HydrophobicContact CE-CG 4.02Å; M231-L383 HydrophobicContact SD-CD1 3.86Å; M231-L383 HydrophobicContact SD-CD2 4.44Å; M231-M387 HydrophobicContact SD-SD 4.17Å
232	E	89.8	Confident	88.4	Confident	12 Å²	12	53.7 Å²	53.7	6%	0.056	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.4	171.8	-76	164	-122.1	0	0	108.5	K223 I224 E225 M259 T261 R369	K223-E232 VanDerWaalsContact CD-OE2 3.3Å; K223-E232 WeakPolarHBondContact CD-OE2 3.42Å; K223-E232 IonicContact NZ-OE1 2.85Å; K223-E232 IonicContact NZ-OE2 3.4Å; K223-E232 PolarHBondContact NZ-OE2 2.95Å; I224-E232 CarbonylContact O-C 3.59Å; I224-E232 WeakPolarHBondContact O-CA 3.4Å; E225-E232 HydrophobicContact CG-CG 4.16Å; E232-M259 HydrophobicContact CB-CB 4.1Å; E232-M259 PolarHBondContact N-O 3.19Å; E232-M259 WeakPolarHBondContact O-CA 3.23Å; E232-M259 WeakPolarHBondContact O-CB 3.14Å; E232-M259 PolarHBondContact O-N 3.12Å; E232-M259 VanDerWaalsContact O-O 3.11Å; E232-T261 PolarHBondContact OE1-OG1 2.97Å; E232-R369 IonicContact OE1-CZ 3.57Å; E232-R369 IonicContact OE1-NH1 3.79Å; E232-R369 PolarHBondContact OE1-NH1 3.42Å; E232-R369 IonicContact OE1-NH2 2.66Å; E232-R369 PolarHBondContact OE1-NH2 3.44Å; E232-R369 IonicContact OE2-CZ 2.62Å; E232-R369 IonicContact OE2-NH1 3.52Å; E232-R369 PolarHBondContact OE2-NH1 3.15Å; E232-R369 IonicContact OE2-NH2 2.85Å; E232-R369 PolarHBondContact OE2-NH2 3.05Å
233	L	89.6	Confident	88.5	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	114.3	179.1	-175.4	160.7	0	0	0	108	I224 P235 H256 K257 T391	I224-L233 HydrophobicContact CB-CB 4.37Å; I224-L233 HydrophobicContact CD1-CD2 4.34Å; I224-L233 PolarHBondContact N-O 3.41Å; I224-L233 PolarHBondContact O-N 2.85Å; L233-P235 WeakPolarHBondContact O-CD 3.05Å; L233-H256 HydrophobicContact CD1-CB 4.23Å; L233-H256 HydrophobicContact CD2-CB 3.69Å; L233-H256 WeakPolarHBondContact CD2-CD2 3.07Å; L233-H256 HydrophobicContact CG-CB 3.95Å; L233-K257 WeakPolarHBondContact CA-O 3.43Å; L233-T391 HydrophobicContact CD1-CG2 3.69Å
234	W	90.2	Very high	88.6	Confident	11 Å²	11	50.1 Å²	50.1	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	117.4	178.7	-64.9	5.5	0	0	0	108.7	V213 F218 P220 K223 H256 K257 M259 L292	V213-W234 HydrophobicContact CG2-CZ3 4.43Å; F218-W234 HydrophobicContact CB-CB 4.29Å; F218-W234 HydrophobicContact CB-CE3 4.25Å; F218-W234 HydrophobicContact CD1-CB 4.34Å; F218-W234 WeakPolarHBondContact CD1-O 3.35Å; P220-W234 HydrophobicContact CB-CD2 4.2Å; P220-W234 HydrophobicContact CB-CE3 4.15Å; P220-W234 HydrophobicContact CB-CH2 3.9Å; P220-W234 HydrophobicContact CB-CZ2 3.95Å; P220-W234 HydrophobicContact CB-CZ3 4.01Å; P220-W234 HydrophobicContact CG-CE3 4.03Å; P220-W234 HydrophobicContact CG-CH2 4.06Å; P220-W234 HydrophobicContact CG-CZ3 3.77Å; K223-W234 HydrophobicContact CB-CG 4.5Å; W234-H256 WeakPolarHBondContact O-CA 3.31Å; W234-K257 HydrophobicContact CB-CB 4.23Å; W234-K257 PolarHBondContact N-O 3.46Å; W234-K257 PolarHBondContact O-N 3.05Å; W234-M259 HydrophobicContact CD2-CG 4.23Å; W234-M259 HydrophobicContact CG-CG 4.33Å; W234-L292 HydrophobicContact CH2-CD2 3.58Å; W234-L292 HydrophobicContact CZ2-CD2 4.26Å; W234-L292 HydrophobicContact CZ3-CD2 3.92Å
235	P	90.1	Very high	88.5	Confident	27 Å²	27	49.6 Å²	49.6	18%	0.175	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	148.1	171.4	31.1	-34.2	0	0	0	109.6	F218 D219 A222 L233	F218-P235 WeakPolarHBondContact CA-O 3.29Å; D219-P235 PolarHBondContact N-O 3.46Å; A222-P235 HydrophobicContact CB-CG 3.8Å; A222-P235 WeakPolarHBondContact O-CD 3.44Å; A222-P235 VanDerWaalsContact O-CG 3.28Å; A222-P235 WeakPolarHBondContact O-CG 3.45Å; L233-P235 WeakPolarHBondContact O-CD 3.05Å
236	G	91.6	Very high	88.2	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	-177.6	-179.9	0	0	0	0	0	113.3	L217 T255	L217-G236 CarbonylContact O-C 3.57Å; L217-G236 WeakPolarHBondContact O-CA 3.48Å; G236-T255 VanDerWaalsContact C-CG2 3.46Å; G236-T255 CarbonylContact C-O 3.46Å; G236-T255 PolarHBondContact N-O 3.16Å; G236-T255 PolarHBondContact O-N 3.45Å; G236-T255 VanDerWaalsContact O-O 3.09Å
237	Y	91	Very high	88.2	Confident	34 Å²	34	54.5 Å²	54.5	13%	0.133	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	125.6	-173.8	-52.6	-81.2	0	0	0	109.2	L210 L217 T252 E253 I254 F405	L210-Y237 HydrophobicContact CD1-CD2 4Å; L210-Y237 HydrophobicContact CD1-CE2 4.37Å; L217-Y237 PolarHBondContact N-O 3.17Å; L217-Y237 PolarHBondContact O-N 2.86Å; Y237-T252 HydrophobicContact CD1-CG2 3.86Å; Y237-T252 HydrophobicContact CG-CG2 4.31Å; Y237-E253 WeakPolarHBondContact CA-O 3.46Å; Y237-I254 HydrophobicContact CD1-CD1 3.73Å; Y237-I254 HydrophobicContact CE1-CD1 3.46Å; Y237-I254 VanDerWaalsContact CE1-CD1 3.46Å; Y237-F405 HydrophobicContact CD1-CB 4.15Å; Y237-F405 HydrophobicContact CD1-CD1 4.49Å; Y237-F405 AromaticContact CD1-CD2 3.64Å; Y237-F405 HydrophobicContact CD1-CD2 3.64Å; Y237-F405 HydrophobicContact CD1-CE2 4.12Å; Y237-F405 AromaticContact CD1-CG 3.83Å; Y237-F405 HydrophobicContact CD1-CG 3.83Å; Y237-F405 AromaticContact CD2-CD2 3.62Å; Y237-F405 HydrophobicContact CD2-CD2 3.62Å; Y237-F405 AromaticContact CD2-CE2 3.7Å; Y237-F405 HydrophobicContact CD2-CE2 3.7Å; Y237-F405 HydrophobicContact CE1-CB 3.51Å; Y237-F405 AromaticContact CE1-CD2 3.55Å; Y237-F405 HydrophobicContact CE1-CD2 3.55Å; Y237-F405 HydrophobicContact CE1-CE2 4.44Å; Y237-F405 AromaticContact CE1-CG 3.65Å; Y237-F405 HydrophobicContact CE1-CG 3.65Å; Y237-F405 AromaticContact CE2-CD2 3.53Å; Y237-F405 HydrophobicContact CE2-CD2 3.53Å; Y237-F405 HydrophobicContact CE2-CE2 4.05Å; Y237-F405 HydrophobicContact CE2-CG 4.45Å; Y237-F405 AromaticContact CG-CD2 3.68Å; Y237-F405 HydrophobicContact CG-CD2 3.68Å; Y237-F405 AromaticContact CG-CE2 3.74Å; Y237-F405 HydrophobicContact CG-CE2 3.74Å; Y237-F405 HydrophobicContact CG-CG 4.29Å; Y237-F405 HydrophobicContact CG-CZ 4.42Å; Y237-F405 AromaticContact CZ-CD2 3.49Å; Y237-F405 VanDerWaalsContact CZ-CD2 3.49Å; Y237-F405 AromaticContact CZ-CG 3.98Å
238	E	91.1	Very high	88.5	Confident	56 Å²	56	45.3 Å²	45.3	26%	0.262	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	125.7	160.9	-176.1	153.2	173	0	0	107.3	N216 T252 E253 T255 N731	N216-E238 PolarHBondContact ND2-OE2 2.77Å; N216-E238 VanDerWaalsContact ND2-OE2 3.09Å; N216-E238 WeakPolarHBondContact OD1-CG 3.47Å; E238-T252 CarbonylContact O-C 3.58Å; E238-T252 WeakPolarHBondContact O-CA 3.41Å; E238-E253 PolarHBondContact N-O 2.9Å; E238-E253 PolarHBondContact O-N 3.31Å; E238-T255 HydrophobicContact CB-CG2 4.41Å; E238-N731 PolarHBondContact OE1-ND2 3.39Å; E238-N731 PolarHBondContact OE1-OD1 2.84Å
239	T	89.6	Confident	88.8	Confident	33 Å²	33	37.4 Å²	37.4	20%	0.202	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	142.1	-175.3	58	0	0	0	0	110.1	M205 G251 T252 F405	M205-T239 HydrophobicContact CE-CG2 4.07Å; T239-G251 WeakPolarHBondContact CA-O 3.45Å; T239-T252 HydrophobicContact CG2-CG2 4.29Å; T239-F405 HydrophobicContact CG2-CZ 4.43Å
240	S	87.7	Confident	89.2	Confident	39 Å²	39	35.4 Å²	35.4	27%	0.273	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	128	174.3	60.7	0	0	0	0	109.5	L250 G251	S240-L250 CarbonylContact O-C 3.49Å; S240-G251 PolarHBondContact N-O 2.94Å; S240-G251 PolarHBondContact O-N 3.14Å
241	I	88.7	Confident	89.5	Confident	3 Å²	3	28.3 Å²	28.3	2%	0.015	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.3	172.4	-177.6	166.7	0	0	0	108.8	L106 L194 L197 N198 L201 I248 L249 L250	L106-I241 HydrophobicContact CD2-CD1 3.75Å; L194-I241 WeakPolarHBondContact CD1-O 3.48Å; L197-I241 HydrophobicContact CB-CD1 3.96Å; L197-I241 HydrophobicContact CB-CG1 4.11Å; L197-I241 HydrophobicContact CB-CG2 4.05Å; L197-I241 HydrophobicContact CD1-CD1 4.49Å; L197-I241 HydrophobicContact CD1-CG1 4.29Å; L197-I241 HydrophobicContact CD2-CD1 4.14Å; L197-I241 HydrophobicContact CG-CD1 4.44Å; N198-I241 HydrophobicContact CB-CG2 4.42Å; L201-I241 HydrophobicContact CB-CG2 4.01Å; L201-I241 HydrophobicContact CD2-CB 3.97Å; L201-I241 HydrophobicContact CD2-CG2 3.77Å; L201-I241 HydrophobicContact CG-CG2 4.48Å; I241-I248 HydrophobicContact CD1-CG2 3.99Å; I241-I248 HydrophobicContact CG1-CG2 3.79Å; I241-L249 WeakPolarHBondContact CA-O 3.45Å; I241-L250 HydrophobicContact CB-CD1 4.46Å
242	R	85.4	Confident	89.7	Confident	70 Å²	70	28 Å²	28	26%	0.264	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	155.9	177.3	-59.7	-155.4	170.9	-139.8	-4	111.2	L194 H244 I248 L249	L194-R242 HydrophobicContact CD1-CB 4.19Å; L194-R242 HydrophobicContact CD1-CG 3.73Å; R242-H244 PolarHBondContact O-CD2 3.11Å; R242-I248 WeakPolarHBondContact O-CA 3.15Å; R242-L249 PolarHBondContact N-O 2.84Å; R242-L249 VanDerWaalsContact N-O 3.16Å; R242-L249 PolarHBondContact O-N 3.32Å
243	Q	87.4	Confident	89.8	Confident	43 Å²	43	28 Å²	28	20%	0.201	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	126.8	157.4	-176.9	65.8	29.5	0	0	107.9	C188 F193 K246 I248 P754	C188-Q243 HydrophobicContact CB-CG 4.43Å; F193-Q243 HydrophobicContact CE1-CB 4.33Å; Q243-K246 PolarHBondContact NE2-O 2.93Å; Q243-I248 VanDerWaalsContact OE1-CG1 3.23Å; Q243-P754 HydrophobicContact CG-CG 4.43Å
244	H	89.5	Confident	89.8	Confident	8 Å²	8	28.5 Å²	28.5	4%	0.037	14%	0.138	C	C	.	.			trans	-108.7	-169.9	167.9	-71	-96.9	0	0	0	110.2	F103 R242 K246 D247 L249 V750 I751 T752 P754	F103-H244 AromaticContact CD1-NE2 3.93Å; F103-H244 AromaticContact CE1-CE1 3.73Å; F103-H244 AromaticContact CE1-NE2 3.45Å; F103-H244 WeakPolarHBondContact CE1-NE2 3.5Å; R242-H244 PolarHBondContact O-CD2 3.11Å; H244-K246 PolarHBondContact O-N 3.07Å; H244-D247 PolarHBondContact N-O 3.37Å; H244-L249 HydrophobicContact CB-CD1 3.98Å; H244-L249 HydrophobicContact CB-CG 4.18Å; H244-V750 WeakPolarHBondContact CB-O 3.34Å; H244-I751 PolarHBondContact CE1-O 3.06Å; H244-I751 WeakPolarHBondContact ND1-CA 3.44Å; H244-I751 PolarHBondContact ND1-O 2.83Å; H244-T752 PolarHBondContact ND1-O 2.78Å; H244-P754 VanDerWaalsContact C-CG 3.43Å; H244-P754 VanDerWaalsContact O-CG 3.27Å; H244-P754 WeakPolarHBondContact O-CG 3.26Å
245	E	85.6	Confident	89.8	Confident	40 Å²	40	29.4 Å²	29.4	19%	0.187	15%	0.145	C	C	.	.	S	Bend	trans	-45.1	-39.2	-171.2	-62.1	-59.1	146.8	0	0	114.3	R82 K89 D749 T752 L753	R82-E245 IonicContact NH1-OE2 3.11Å; K89-E245 WeakPolarHBondContact CE-OE1 3.3Å; K89-E245 IonicContact NZ-OE1 3.48Å; K89-E245 PolarHBondContact NZ-OE1 3.35Å; E245-D749 WeakPolarHBondContact CG-OD1 3.07Å; E245-T752 WeakPolarHBondContact CG-OG1 3.19Å; E245-T752 PolarHBondContact OE1-OG1 2.78Å; E245-L753 VanDerWaalsContact OE1-C 3.26Å
246	K	83.9	Confident	89.7	Confident	154 Å²	154	30 Å²	30	67%	0.67	15%	0.145	S	C	*	.	S	Bend	trans	-128.7	-38	-178.7	-61.2	-176.4	-178.8	-178.1	0	113.4	Q243 H244	Q243-K246 PolarHBondContact NE2-O 2.93Å; H244-K246 PolarHBondContact O-N 3.07Å
247	D	88	Confident	89.5	Confident	43 Å²	43	32.4 Å²	32.4	23%	0.23	16%	0.155	C	C	.	.	S	Bend	trans	-124	159.6	-167.7	-65.9	-72.5	0	0	0	112.5	R105 H244 L249	R105-D247 HydrophobicContact CG-CB 4.13Å; R105-D247 IonicContact CZ-OD1 3.68Å; R105-D247 IonicContact CZ-OD2 3.62Å; R105-D247 IonicContact NE-OD1 2.6Å; R105-D247 PolarHBondContact NE-OD1 3.03Å; R105-D247 IonicContact NE-OD2 2.63Å; R105-D247 PolarHBondContact NE-OD2 2.86Å; R105-D247 IonicContact NH2-OD1 3.65Å; R105-D247 PolarHBondContact NH2-OD1 2.91Å; R105-D247 IonicContact NH2-OD2 3.56Å; H244-D247 PolarHBondContact N-O 3.37Å; D247-L249 HydrophobicContact CB-CD2 3.96Å; D247-L249 PolarHBondContact O-N 2.99Å
248	I	91.8	Very high	89.3	Confident	8 Å²	8	32 Å²	32	4%	0.041	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	120.2	165.6	-58.5	169.3	0	0	0	107.4	L106 T108 W112 F193 L197 I241 R242 Q243 M424	L106-I248 HydrophobicContact CB-CB 4.32Å; L106-I248 HydrophobicContact CB-CG2 4.21Å; L106-I248 PolarHBondContact N-O 2.9Å; T108-I248 HydrophobicContact CG2-CD1 4.24Å; W112-I248 HydrophobicContact CE3-CD1 4.47Å; W112-I248 HydrophobicContact CH2-CD1 4.43Å; W112-I248 HydrophobicContact CZ3-CD1 3.92Å; F193-I248 HydrophobicContact CE1-CD1 4.35Å; F193-I248 HydrophobicContact CZ-CD1 4.02Å; L197-I248 HydrophobicContact CD1-CD1 4.21Å; L197-I248 HydrophobicContact CD1-CG1 4.39Å; L197-I248 HydrophobicContact CD1-CG2 3.95Å; L197-I248 HydrophobicContact CD2-CD1 4.23Å; I241-I248 HydrophobicContact CD1-CG2 3.99Å; I241-I248 HydrophobicContact CG1-CG2 3.79Å; R242-I248 WeakPolarHBondContact O-CA 3.15Å; Q243-I248 VanDerWaalsContact OE1-CG1 3.23Å; I248-M424 HydrophobicContact CD1-CE 4.12Å
249	L	93.8	Very high	89	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	139.6	177.7	-50.2	-180	0	0	0	110.8	F103 F104 R105 I241 R242 H244 D247 T431 V750 I751	F103-L249 HydrophobicContact CB-CB 4.17Å; F103-L249 HydrophobicContact CB-CD1 4.19Å; F103-L249 HydrophobicContact CD1-CB 3.66Å; F103-L249 HydrophobicContact CD1-CD1 4.16Å; F103-L249 HydrophobicContact CG-CB 4.34Å; F103-L249 HydrophobicContact CG-CD1 4.34Å; F104-L249 WeakPolarHBondContact O-CA 3.34Å; R105-L249 HydrophobicContact CB-CD2 3.95Å; R105-L249 HydrophobicContact CG-CD2 4.24Å; I241-L249 WeakPolarHBondContact CA-O 3.45Å; R242-L249 PolarHBondContact N-O 2.84Å; R242-L249 VanDerWaalsContact N-O 3.16Å; R242-L249 PolarHBondContact O-N 3.32Å; H244-L249 HydrophobicContact CB-CD1 3.98Å; H244-L249 HydrophobicContact CB-CG 4.18Å; D247-L249 HydrophobicContact CB-CD2 3.96Å; D247-L249 PolarHBondContact O-N 2.99Å; L249-T431 HydrophobicContact CD2-CG2 4.41Å; L249-V750 HydrophobicContact CD1-CG1 4.39Å; L249-I751 HydrophobicContact CD1-CG2 3.92Å
250	L	93.5	Very high	88.9	Confident	2 Å²	2	28.7 Å²	28.7	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	101.2	167.4	173	60.4	0	0	0	109.1	F103 F104 L106 L201 M205 S240 I241 L409 L426	F103-L250 WeakPolarHBondContact CA-O 3.38Å; F104-L250 PolarHBondContact N-O 2.74Å; F104-L250 PolarHBondContact O-N 3.46Å; L106-L250 HydrophobicContact CD1-CB 3.47Å; L106-L250 VanDerWaalsContact CD1-CB 3.47Å; L201-L250 HydrophobicContact CD1-CD1 3.64Å; L201-L250 HydrophobicContact CD1-CD2 3.88Å; L201-L250 HydrophobicContact CD1-CG 4.38Å; L201-L250 HydrophobicContact CD2-CD1 3.57Å; L201-L250 HydrophobicContact CG-CD1 4.26Å; M205-L250 HydrophobicContact CE-CD2 4.19Å; S240-L250 CarbonylContact O-C 3.49Å; I241-L250 HydrophobicContact CB-CD1 4.46Å; L250-L409 HydrophobicContact CD2-CD2 4.43Å; L250-L426 HydrophobicContact CB-CD1 4.42Å; L250-L426 HydrophobicContact CD2-CD1 4.03Å; L250-L426 HydrophobicContact CD2-CD2 4.4Å
251	G	92.8	Very high	88.8	Confident	2 Å²	2	29.8 Å²	29.8	2%	0.021	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	130.8	168.2	0	0	0	0	0	110.6	F103 T239 S240	F103-G251 VanDerWaalsContact CD1-CA 3.42Å; T239-G251 WeakPolarHBondContact CA-O 3.45Å; S240-G251 PolarHBondContact N-O 2.94Å; S240-G251 PolarHBondContact O-N 3.14Å
252	T	92.3	Very high	88.7	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	128.9	174.2	-54.4	0	0	0	0	109.7	N102 Y237 E238 T239 L402 F405	N102-T252 WeakPolarHBondContact CB-O 3.48Å; N102-T252 PolarHBondContact ND2-O 2.86Å; N102-T252 PolarHBondContact O-N 2.9Å; Y237-T252 HydrophobicContact CD1-CG2 3.86Å; Y237-T252 HydrophobicContact CG-CG2 4.31Å; E238-T252 CarbonylContact O-C 3.58Å; E238-T252 WeakPolarHBondContact O-CA 3.41Å; T239-T252 HydrophobicContact CG2-CG2 4.29Å; T252-L402 HydrophobicContact CG2-CD2 4.02Å; T252-L402 WeakPolarHBondContact O-CD2 3.41Å; T252-F405 HydrophobicContact CG2-CD1 3.75Å; T252-F405 HydrophobicContact CG2-CE1 3.63Å; T252-F405 HydrophobicContact CG2-CG 4.4Å; T252-F405 HydrophobicContact CG2-CZ 4.19Å
253	E	92.4	Very high	89	Confident	11 Å²	11	29.1 Å²	29.1	5%	0.051	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	138.8	174.7	171.7	64.7	158.2	0	0	110.9	Y237 E238 T255 R398 R733	Y237-E253 WeakPolarHBondContact CA-O 3.46Å; E238-E253 PolarHBondContact N-O 2.9Å; E238-E253 PolarHBondContact O-N 3.31Å; E253-T255 PolarHBondContact O-N 3.42Å; E253-R398 IonicContact OE1-CZ 3.68Å; E253-R398 IonicContact OE1-NH1 2.82Å; E253-R398 PolarHBondContact OE1-NH1 2.76Å; E253-R398 IonicContact OE2-CZ 3.35Å; E253-R398 IonicContact OE2-NH1 3.05Å; E253-R398 PolarHBondContact OE2-NH1 3.03Å; E253-R733 IonicContact OE1-CZ 2.69Å; E253-R733 IonicContact OE1-NE 3.2Å; E253-R733 PolarHBondContact OE1-NE 3.48Å; E253-R733 IonicContact OE1-NH2 3.49Å; E253-R733 PolarHBondContact OE1-NH2 3.07Å
254	I	90	Very high	89.3	Confident	13 Å²	13	27 Å²	27	7%	0.067	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	126.1	177.6	-46.8	-61.3	0	0	0	109.5	Y237 M393 R398 R401 L402	Y237-I254 HydrophobicContact CD1-CD1 3.73Å; Y237-I254 HydrophobicContact CE1-CD1 3.46Å; Y237-I254 VanDerWaalsContact CE1-CD1 3.46Å; I254-M393 HydrophobicContact CB-CE 3.63Å; I254-M393 HydrophobicContact CG1-CE 4.18Å; I254-M393 HydrophobicContact CG2-CE 3.55Å; I254-M393 HydrophobicContact CG2-SD 4.32Å; I254-R398 HydrophobicContact CG1-CG 4.25Å; I254-R401 HydrophobicContact CD1-CB 3.91Å; I254-R401 HydrophobicContact CG1-CB 4.24Å; I254-L402 HydrophobicContact CD1-CD2 4.03Å; I254-L402 HydrophobicContact CD1-CG 4.28Å; I254-L402 HydrophobicContact CG1-CD2 4.43Å; I254-L402 HydrophobicContact CG1-CG 4.46Å
255	T	89.6	Confident	89.4	Confident	30 Å²	30	29.2 Å²	29.2	18%	0.184	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	159.9	179.1	-174.1	0	0	0	0	110.8	N216 F218 G236 E238 E253	N216-T255 HydrophobicContact CB-CG2 4.16Å; F218-T255 HydrophobicContact CE1-CG2 3.67Å; F218-T255 HydrophobicContact CZ-CG2 3.86Å; G236-T255 VanDerWaalsContact C-CG2 3.46Å; G236-T255 CarbonylContact C-O 3.46Å; G236-T255 PolarHBondContact N-O 3.16Å; G236-T255 PolarHBondContact O-N 3.45Å; G236-T255 VanDerWaalsContact O-O 3.09Å; E238-T255 HydrophobicContact CB-CG2 4.41Å; E253-T255 PolarHBondContact O-N 3.42Å
256	H	88.1	Confident	89.7	Confident	39 Å²	39	30.3 Å²	30.3	18%	0.181	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	128.5	-179.1	-58.4	104.4	0	0	0	109.3	L233 W234 T391	L233-H256 HydrophobicContact CD1-CB 4.23Å; L233-H256 HydrophobicContact CD2-CB 3.69Å; L233-H256 WeakPolarHBondContact CD2-CD2 3.07Å; L233-H256 HydrophobicContact CG-CB 3.95Å; W234-H256 WeakPolarHBondContact O-CA 3.31Å; H256-T391 HydrophobicContact CB-CG2 4.21Å
257	K	86.8	Confident	89.9	Confident	51 Å²	51	23.5 Å²	23.5	22%	0.222	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	118.6	171.5	-162.4	77	174.6	-169.8	0	108.7	V213 F218 L233 W234 M259	V213-K257 HydrophobicContact CG1-CD 4.37Å; F218-K257 HydrophobicContact CD1-CB 3.82Å; F218-K257 HydrophobicContact CE1-CB 3.6Å; F218-K257 HydrophobicContact CE2-CB 4.32Å; F218-K257 HydrophobicContact CE2-CD 4.29Å; F218-K257 HydrophobicContact CG-CB 4.29Å; F218-K257 HydrophobicContact CZ-CB 3.86Å; F218-K257 HydrophobicContact CZ-CD 4.13Å; L233-K257 WeakPolarHBondContact CA-O 3.43Å; W234-K257 HydrophobicContact CB-CB 4.23Å; W234-K257 PolarHBondContact N-O 3.46Å; W234-K257 PolarHBondContact O-N 3.05Å; K257-M259 HydrophobicContact CG-CG 4.47Å; K257-M259 HydrophobicContact CG-SD 3.98Å
258	V	87.6	Confident	89.9	Confident	26 Å²	26	21.9 Å²	21.9	16%	0.158	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	121.5	173	-176.5	0	0	0	0	108.9	M231 G372 L373 M387	M231-V258 HydrophobicContact SD-CG1 3.95Å; V258-G372 PolarHBondContact O-N 2.77Å; V258-L373 HydrophobicContact CG1-CD2 3.86Å; V258-L373 HydrophobicContact CG1-CG 4.3Å; V258-M387 HydrophobicContact CG1-SD 4.13Å; V258-M387 HydrophobicContact CG2-SD 4.26Å
259	M	84.4	Confident	89.7	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.7	-179.8	-65.4	-56.4	-56.1	0	0	108.9	M231 E232 W234 K257 L292 R369 T371	M231-M259 CarbonylContact C-O 3.57Å; M231-M259 WeakPolarHBondContact CA-O 3.13Å; E232-M259 HydrophobicContact CB-CB 4.1Å; E232-M259 PolarHBondContact N-O 3.19Å; E232-M259 WeakPolarHBondContact O-CA 3.23Å; E232-M259 WeakPolarHBondContact O-CB 3.14Å; E232-M259 PolarHBondContact O-N 3.12Å; E232-M259 VanDerWaalsContact O-O 3.11Å; W234-M259 HydrophobicContact CD2-CG 4.23Å; W234-M259 HydrophobicContact CG-CG 4.33Å; K257-M259 HydrophobicContact CG-CG 4.47Å; K257-M259 HydrophobicContact CG-SD 3.98Å; M259-L292 HydrophobicContact CE-CB 3.57Å; M259-L292 HydrophobicContact CE-CD2 3.35Å; M259-L292 HydrophobicContact CE-CG 4.08Å; M259-L292 HydrophobicContact SD-CB 4.49Å; M259-L292 HydrophobicContact SD-CD2 4.01Å; M259-R369 HydrophobicContact CE-CB 4.17Å; M259-T371 HydrophobicContact CE-CG2 3.85Å; M259-T371 HydrophobicContact SD-CG2 3.68Å
260	R	87.3	Confident	89.2	Confident	18 Å²	18	36.6 Å²	36.6	7%	0.068	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	139.9	168.8	-55.4	-170.6	-160.8	172.5	8.6	108.6	E262 R369 V370 G372 M377	R260-E262 HydrophobicContact CB-CB 4.45Å; R260-R369 VanDerWaalsContact O-CZ 3.32Å; R260-R369 PolarHBondContact O-NE 3.01Å; R260-R369 PolarHBondContact O-NH2 3.18Å; R260-V370 HydrophobicContact CB-CB 4.38Å; R260-V370 WeakPolarHBondContact CB-O 3.21Å; R260-V370 HydrophobicContact CG-CB 4.38Å; R260-V370 PolarHBondContact N-O 2.92Å; R260-G372 PolarHBondContact NE-O 3.03Å; R260-G372 PolarHBondContact NH2-O 3.38Å; R260-M377 HydrophobicContact CG-CE 4.14Å
261	T	84.9	Confident	88.6	Confident	63 Å²	63	37.1 Å²	37.1	39%	0.387	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-21.7	171.3	-48.1	0	0	0	0	111.4	K230 E232	K230-T261 WeakPolarHBondContact O-CB 3.5Å; K230-T261 PolarHBondContact O-N 3.04Å; K230-T261 PolarHBondContact O-OG1 3.45Å; E232-T261 PolarHBondContact OE1-OG1 2.97Å
262	E	87.6	Confident	87.5	Confident	36 Å²	36	39.7 Å²	39.7	17%	0.168	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	134.2	172.1	-167.4	-179.2	-166.1	0	0	112.8	R260 D266 I267 R270 V370	R260-E262 HydrophobicContact CB-CB 4.45Å; E262-D266 HydrophobicContact CG-CB 3.46Å; E262-D266 VanDerWaalsContact CG-CB 3.46Å; E262-I267 HydrophobicContact CG-CG1 4.14Å; E262-I267 WeakPolarHBondContact OE1-CG1 3.37Å; E262-I267 PolarHBondContact OE1-N 3.4Å; E262-R270 IonicContact OE1-CZ 3.25Å; E262-R270 IonicContact OE1-NE 3.32Å; E262-R270 PolarHBondContact OE1-NE 3.49Å; E262-R270 IonicContact OE1-NH2 2.78Å; E262-R270 PolarHBondContact OE1-NH2 2.86Å; E262-R270 IonicContact OE2-CZ 3.71Å; E262-R270 IonicContact OE2-NH2 2.68Å; E262-R270 PolarHBondContact OE2-NH2 2.83Å; E262-V370 PolarHBondContact O-N 2.9Å
263	T	91.6	Very high	86.4	Confident	22 Å²	22	47.4 Å²	47.4	14%	0.135	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	164.5	173.9	66	0	0	0	0	111.6	Y265 D266 I267 C368 R369	T263-Y265 PolarHBondContact O-N 2.87Å; T263-Y265 WeakPolarHBondContact OG1-CB 3.33Å; T263-Y265 PolarHBondContact OG1-N 2.9Å; T263-D266 PolarHBondContact N-OD2 3.1Å; T263-D266 PolarHBondContact O-N 2.87Å; T263-D266 PolarHBondContact OG1-N 2.98Å; T263-D266 PolarHBondContact OG1-OD2 3.36Å; T263-I267 PolarHBondContact O-N 3.02Å; T263-C368 CarbonylContact C-O 3.59Å; T263-C368 VanDerWaalsContact CA-O 3.29Å; T263-C368 WeakPolarHBondContact CA-O 3.27Å; T263-R369 HydrophobicContact CG2-CG 4.43Å
264	I	92.8	Very high	85.4	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.3	-34.6	170.5	-66.4	-66.4	0	0	0	111	D266 I267 M268 V286 L289 V291 I302 L344 P365 C368 V370	I264-D266 VanDerWaalsContact C-N 3.31Å; I264-D266 PolarHBondContact O-N 2.92Å; I264-I267 HydrophobicContact CD1-CD1 4.38Å; I264-I267 PolarHBondContact O-N 3.28Å; I264-M268 HydrophobicContact CG2-CE 3.7Å; I264-M268 HydrophobicContact CG2-CG 4.14Å; I264-M268 HydrophobicContact CG2-SD 3.96Å; I264-M268 WeakPolarHBondContact O-CG 3.44Å; I264-M268 PolarHBondContact O-N 3.28Å; I264-V286 HydrophobicContact CD1-CG1 4.14Å; I264-V286 HydrophobicContact CG2-CG1 3.93Å; I264-V286 HydrophobicContact CG2-CG2 4.13Å; I264-L289 HydrophobicContact CD1-CD1 4.09Å; I264-V291 HydrophobicContact CD1-CG1 3.61Å; I264-V291 HydrophobicContact CG1-CG1 3.47Å; I264-V291 VanDerWaalsContact CG1-CG1 3.47Å; I264-I302 HydrophobicContact CD1-CD1 3.78Å; I264-I302 HydrophobicContact CG1-CD1 4.01Å; I264-L344 HydrophobicContact CB-CD1 4.18Å; I264-L344 HydrophobicContact CG1-CD1 4.07Å; I264-L344 HydrophobicContact CG2-CD1 4Å; I264-L344 HydrophobicContact CG2-CD2 3.91Å; I264-P365 HydrophobicContact CB-CB 4.19Å; I264-P365 HydrophobicContact CG2-CB 4.02Å; I264-C368 HydrophobicContact CB-CB 4.48Å; I264-C368 HydrophobicContact CG1-CB 4.06Å; I264-C368 PolarHBondContact N-O 3.41Å; I264-V370 HydrophobicContact CD1-CG2 3.38Å; I264-V370 HydrophobicContact CG1-CG2 4.17Å
265	Y	93.3	Very high	84.4	Confident	54 Å²	54	55.2 Å²	55.2	21%	0.212	27%	0.273	C	S	.	.	H	α-helix	trans	-56.9	-44.7	175.6	-179.8	-99.9	0	0	0	112.2	T263 I267 M268 R269 D338 Q341 P365	T263-Y265 PolarHBondContact O-N 2.87Å; T263-Y265 WeakPolarHBondContact OG1-CB 3.33Å; T263-Y265 PolarHBondContact OG1-N 2.9Å; Y265-I267 VanDerWaalsContact C-N 3.34Å; Y265-I267 PolarHBondContact O-N 2.94Å; Y265-M268 PolarHBondContact O-N 3.44Å; Y265-R269 PolarHBondContact O-N 3.25Å; Y265-D338 HydrophobicContact CE2-CB 3.81Å; Y265-D338 WeakPolarHBondContact CE2-OD2 3.3Å; Y265-D338 VanDerWaalsContact CZ-OD2 3.26Å; Y265-D338 PolarHBondContact OH-OD2 2.91Å; Y265-Q341 HydrophobicContact CD2-CB 4.03Å; Y265-Q341 HydrophobicContact CE2-CB 3.99Å; Y265-P365 PolarHBondContact N-O 3.47Å
266	D	90.5	Very high	83.6	Confident	63 Å²	63	58.2 Å²	58.2	34%	0.337	30%	0.3	S	S	.	.	H	α-helix	trans	-62.6	-40.5	177.2	-59.8	-49.1	0	0	0	112	E262 T263 I264 R269 R270	E262-D266 HydrophobicContact CG-CB 3.46Å; E262-D266 VanDerWaalsContact CG-CB 3.46Å; T263-D266 PolarHBondContact N-OD2 3.1Å; T263-D266 PolarHBondContact O-N 2.87Å; T263-D266 PolarHBondContact OG1-N 2.98Å; T263-D266 PolarHBondContact OG1-OD2 3.36Å; I264-D266 VanDerWaalsContact C-N 3.31Å; I264-D266 PolarHBondContact O-N 2.92Å; D266-R269 PolarHBondContact O-N 3.18Å; D266-R270 WeakPolarHBondContact O-CG 3.35Å; D266-R270 PolarHBondContact O-N 2.93Å; D266-R270 VanDerWaalsContact O-N 3.09Å
267	I	88.2	Confident	83	Confident	10 Å²	10	64.2 Å²	64.2	5%	0.051	32%	0.321	C	S	.	.	H	α-helix	trans	-62.9	-46.1	175.7	-63.5	176	0	0	0	110.2	E262 T263 I264 Y265 R269 R270 C271 N285 V286 L289 V370	E262-I267 HydrophobicContact CG-CG1 4.14Å; E262-I267 WeakPolarHBondContact OE1-CG1 3.37Å; E262-I267 PolarHBondContact OE1-N 3.4Å; T263-I267 PolarHBondContact O-N 3.02Å; I264-I267 HydrophobicContact CD1-CD1 4.38Å; I264-I267 PolarHBondContact O-N 3.28Å; Y265-I267 VanDerWaalsContact C-N 3.34Å; Y265-I267 PolarHBondContact O-N 2.94Å; I267-R269 VanDerWaalsContact C-N 3.31Å; I267-R269 PolarHBondContact O-N 3.44Å; I267-R270 PolarHBondContact O-N 3.36Å; I267-R270 VanDerWaalsContact O-N 3.1Å; I267-C271 PolarHBondContact O-N 3.03Å; I267-C271 VanDerWaalsContact O-N 3.1Å; I267-C271 PolarHBondContact O-SG 3.05Å; I267-C271 VanDerWaalsContact O-SG 3.36Å; I267-N285 HydrophobicContact CG2-CB 4.31Å; I267-V286 HydrophobicContact CG2-CG2 4.15Å; I267-L289 HydrophobicContact CD1-CD1 4.45Å; I267-V370 HydrophobicContact CD1-CG2 3.56Å
268	M	89.2	Confident	82.7	Confident	10 Å²	10	64.1 Å²	64.1	5%	0.049	32%	0.322	C	S	.	.	H	α-helix	trans	-59.4	-43.5	178.6	-72.4	176	165	0	0	111.6	I264 Y265 R270 C271 S272 H278 V282 V286 V305 P342 L344 P365	I264-M268 HydrophobicContact CG2-CE 3.7Å; I264-M268 HydrophobicContact CG2-CG 4.14Å; I264-M268 HydrophobicContact CG2-SD 3.96Å; I264-M268 WeakPolarHBondContact O-CG 3.44Å; I264-M268 PolarHBondContact O-N 3.28Å; Y265-M268 PolarHBondContact O-N 3.44Å; M268-R270 VanDerWaalsContact C-N 3.27Å; M268-R270 PolarHBondContact O-N 3.04Å; M268-C271 PolarHBondContact O-N 3.48Å; M268-C271 VanDerWaalsContact O-N 3.12Å; M268-S272 PolarHBondContact O-N 3.37Å; M268-H278 PolarHBondContact O-CE1 3.26Å; M268-V282 HydrophobicContact CB-CG2 4.33Å; M268-V282 HydrophobicContact CE-CG1 3.75Å; M268-V282 HydrophobicContact CG-CG1 3.81Å; M268-V282 HydrophobicContact CG-CG2 4.2Å; M268-V282 HydrophobicContact SD-CG1 4.46Å; M268-V286 HydrophobicContact CE-CG1 4.45Å; M268-V286 HydrophobicContact CE-CG2 4.5Å; M268-V286 HydrophobicContact CG-CG2 4.41Å; M268-V305 HydrophobicContact CE-CG1 3.68Å; M268-V305 HydrophobicContact CE-CG2 4.13Å; M268-P342 HydrophobicContact CE-CG 3.97Å; M268-P342 HydrophobicContact SD-CG 3.71Å; M268-L344 HydrophobicContact CE-CD2 3.5Å; M268-L344 VanDerWaalsContact CE-CD2 3.5Å; M268-P365 HydrophobicContact CE-CG 4.12Å; M268-P365 HydrophobicContact SD-CB 3.88Å; M268-P365 HydrophobicContact SD-CG 3.79Å
269	R	87.5	Confident	82.5	Confident	172 Å²	172	67.4 Å²	67.4	65%	0.649	34%	0.335	S	S	*	.	H	α-helix	trans	-65.2	-27.9	176.8	-165.1	179.8	-178.4	-168.9	2.3	112.9	Y265 D266 I267 S272	Y265-R269 PolarHBondContact O-N 3.25Å; D266-R269 PolarHBondContact O-N 3.18Å; I267-R269 VanDerWaalsContact C-N 3.31Å; I267-R269 PolarHBondContact O-N 3.44Å; R269-S272 PolarHBondContact O-OG 3.02Å
270	R	83.3	Confident	82.4	Confident	146 Å²	146	72.1 Å²	72.1	55%	0.551	36%	0.36	S	S	*	.	H	α-helix	trans	-74.4	-33.3	172.5	-70.4	-171	-65.3	148.4	1.9	112.4	E262 D266 I267 M268 S272 H273	E262-R270 IonicContact OE1-CZ 3.25Å; E262-R270 IonicContact OE1-NE 3.32Å; E262-R270 PolarHBondContact OE1-NE 3.49Å; E262-R270 IonicContact OE1-NH2 2.78Å; E262-R270 PolarHBondContact OE1-NH2 2.86Å; E262-R270 IonicContact OE2-CZ 3.71Å; E262-R270 IonicContact OE2-NH2 2.68Å; E262-R270 PolarHBondContact OE2-NH2 2.83Å; D266-R270 WeakPolarHBondContact O-CG 3.35Å; D266-R270 PolarHBondContact O-N 2.93Å; D266-R270 VanDerWaalsContact O-N 3.09Å; I267-R270 PolarHBondContact O-N 3.36Å; I267-R270 VanDerWaalsContact O-N 3.1Å; M268-R270 VanDerWaalsContact C-N 3.27Å; M268-R270 PolarHBondContact O-N 3.04Å; R270-S272 PolarHBondContact O-N 3.35Å; R270-H273 PolarHBondContact O-CE1 3.28Å; R270-H273 PolarHBondContact O-ND1 2.98Å
271	C	79.4	Confident	82.2	Confident	12 Å²	12	74.6 Å²	74.6	8%	0.081	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-76.4	0.8	175.7	-59.7	0	0	0	0	113.9	I267 M268 H278 E281 V282	I267-C271 PolarHBondContact O-N 3.03Å; I267-C271 VanDerWaalsContact O-N 3.1Å; I267-C271 PolarHBondContact O-SG 3.05Å; I267-C271 VanDerWaalsContact O-SG 3.36Å; M268-C271 PolarHBondContact O-N 3.48Å; M268-C271 VanDerWaalsContact O-N 3.12Å; C271-H278 PolarHBondContact O-ND1 2.82Å; C271-E281 HydrophobicContact CB-CB 4.21Å; C271-V282 HydrophobicContact CB-CG2 3.7Å
272	S	70.9	Confident	82.2	Confident	56 Å²	56	71.7 Å²	71.7	39%	0.392	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-91.6	13.7	-175.4	70.2	0	0	0	0	115.1	M268 R269 R270 N274 H278	M268-S272 PolarHBondContact O-N 3.37Å; R269-S272 PolarHBondContact O-OG 3.02Å; R270-S272 PolarHBondContact O-N 3.35Å; S272-N274 VanDerWaalsContact C-N 3.31Å; S272-N274 PolarHBondContact O-N 3.2Å; S272-H278 VanDerWaalsContact CA-ND1 3.27Å; S272-H278 WeakPolarHBondContact CA-ND1 3.47Å
273	H	69.1	Low	82.1	Confident	163 Å²	163	73.3 Å²	73.3	76%	0.755	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-73.8	-20.6	-179.3	-70.8	79	0	0	0	113.4	R270	R270-H273 PolarHBondContact O-CE1 3.28Å; R270-H273 PolarHBondContact O-ND1 2.98Å
274	N	71.8	Confident	81.7	Confident	70 Å²	70	78 Å²	78	37%	0.374	39%	0.388	S	S	.	.			trans	-121.8	101.6	175.3	-171.5	-14.8	0	0	0	111.3	S272 A276 R277 H278	S272-N274 VanDerWaalsContact C-N 3.31Å; S272-N274 PolarHBondContact O-N 3.2Å; N274-A276 PolarHBondContact O-N 3.01Å; N274-A276 VanDerWaalsContact O-N 3.16Å; N274-A276 PolarHBondContact OD1-N 3.19Å; N274-R277 PolarHBondContact O-N 3.06Å; N274-H278 WeakPolarHBondContact O-CB 3.47Å; N274-H278 PolarHBondContact O-N 2.88Å
275	P	68.4	Low	81.2	Confident	118 Å²	118	82 Å²	82	77%	0.766	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.1	-176.1	-25	33.4	0	0	0	114.2	R277	P275-R277 PolarHBondContact O-N 3.12Å
276	A	72.6	Confident	81	Confident	93 Å²	93	79.4 Å²	79.4	77%	0.769	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-22.3	-176.4	0	0	0	0	0	113.8	N274	N274-A276 PolarHBondContact O-N 3.01Å; N274-A276 VanDerWaalsContact O-N 3.16Å; N274-A276 PolarHBondContact OD1-N 3.19Å
277	R	76.7	Confident	80.8	Confident	165 Å²	165	79 Å²	79	62%	0.623	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.9	4.4	-178.7	-73.7	-170.8	169.4	-176.6	-1.8	113.9	N274 P275 Q279 D280 E281	N274-R277 PolarHBondContact O-N 3.06Å; P275-R277 PolarHBondContact O-N 3.12Å; R277-Q279 PolarHBondContact O-N 2.87Å; R277-D280 PolarHBondContact O-N 2.83Å; R277-D280 VanDerWaalsContact O-N 3.13Å; R277-E281 HydrophobicContact CB-CG 4.42Å; R277-E281 PolarHBondContact O-N 2.88Å
278	H	79.9	Confident	80.5	Confident	49 Å²	49	81.3 Å²	81.3	23%	0.227	41%	0.409	C	S	.	.	H	α-helix	trans	-52.9	-48.5	-172.9	173.5	50.1	0	0	0	113.1	M268 C271 S272 N274 D280 E281 V282	M268-H278 PolarHBondContact O-CE1 3.26Å; C271-H278 PolarHBondContact O-ND1 2.82Å; S272-H278 VanDerWaalsContact CA-ND1 3.27Å; S272-H278 WeakPolarHBondContact CA-ND1 3.47Å; N274-H278 WeakPolarHBondContact O-CB 3.47Å; N274-H278 PolarHBondContact O-N 2.88Å; H278-D280 PolarHBondContact O-N 2.95Å; H278-E281 PolarHBondContact O-N 3.2Å; H278-V282 WeakPolarHBondContact CE1-CG2 3.32Å; H278-V282 WeakPolarHBondContact O-CB 3.39Å; H278-V282 VanDerWaalsContact O-CG2 3.28Å; H278-V282 WeakPolarHBondContact O-CG2 3.28Å; H278-V282 PolarHBondContact O-N 3.21Å
279	Q	83.4	Confident	80.4	Confident	94 Å²	94	82.7 Å²	82.7	44%	0.439	42%	0.416	S	S	.	.	H	α-helix	trans	-65.3	-39.2	-178.1	-62.7	-170.6	3.6	0	0	112.5	R277 R283 F307	R277-Q279 PolarHBondContact O-N 2.87Å; Q279-R283 WeakPolarHBondContact O-CG 3.43Å; Q279-R283 PolarHBondContact O-N 2.96Å; Q279-F307 HydrophobicContact CB-CE1 4.27Å; Q279-F307 HydrophobicContact CB-CE2 4.04Å; Q279-F307 HydrophobicContact CB-CZ 3.89Å; Q279-F307 HydrophobicContact CG-CD1 3.97Å; Q279-F307 HydrophobicContact CG-CD2 4.3Å; Q279-F307 HydrophobicContact CG-CE1 3.88Å; Q279-F307 HydrophobicContact CG-CE2 4.22Å; Q279-F307 HydrophobicContact CG-CG 4.17Å; Q279-F307 HydrophobicContact CG-CZ 4.01Å
280	D	81.9	Confident	80.4	Confident	100 Å²	100	78.2 Å²	78.2	54%	0.535	41%	0.405	S	S	.	.	H	α-helix	trans	-68.9	-43.2	178.6	-68.9	-24.7	0	0	0	111	R277 H278 V282 R283 V284	R277-D280 PolarHBondContact O-N 2.83Å; R277-D280 VanDerWaalsContact O-N 3.13Å; H278-D280 PolarHBondContact O-N 2.95Å; D280-V282 PolarHBondContact O-N 3.41Å; D280-R283 PolarHBondContact O-N 3.45Å; D280-V284 VanDerWaalsContact O-CG2 3.28Å; D280-V284 WeakPolarHBondContact O-CG2 3.2Å; D280-V284 PolarHBondContact O-N 2.75Å
281	E	82.9	Confident	80.7	Confident	71 Å²	71	71.3 Å²	71.3	33%	0.332	38%	0.378	S	S	.	.	H	α-helix	trans	-62.9	-41.4	175.5	-73.8	-175.8	-163.5	0	0	112	C271 R277 H278 V284 N285	C271-E281 HydrophobicContact CB-CB 4.21Å; R277-E281 HydrophobicContact CB-CG 4.42Å; R277-E281 PolarHBondContact O-N 2.88Å; H278-E281 PolarHBondContact O-N 3.2Å; E281-V284 PolarHBondContact O-N 2.75Å; E281-N285 WeakPolarHBondContact O-CB 3.24Å; E281-N285 PolarHBondContact O-N 3.12Å; E281-N285 PolarHBondContact O-ND2 3.46Å
282	V	85.9	Confident	81.2	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.006	38%	0.375	C	S	.	.	H	α-helix	trans	-60.1	-49.5	173.5	166.5	0	0	0	0	110.4	M268 C271 H278 D280 V284 N285 V286 F307	M268-V282 HydrophobicContact CB-CG2 4.33Å; M268-V282 HydrophobicContact CE-CG1 3.75Å; M268-V282 HydrophobicContact CG-CG1 3.81Å; M268-V282 HydrophobicContact CG-CG2 4.2Å; M268-V282 HydrophobicContact SD-CG1 4.46Å; C271-V282 HydrophobicContact CB-CG2 3.7Å; H278-V282 WeakPolarHBondContact CE1-CG2 3.32Å; H278-V282 WeakPolarHBondContact O-CB 3.39Å; H278-V282 VanDerWaalsContact O-CG2 3.28Å; H278-V282 WeakPolarHBondContact O-CG2 3.28Å; H278-V282 PolarHBondContact O-N 3.21Å; D280-V282 PolarHBondContact O-N 3.41Å; V282-V284 VanDerWaalsContact C-N 3.34Å; V282-V284 PolarHBondContact O-N 3.18Å; V282-N285 PolarHBondContact O-N 2.84Å; V282-V286 HydrophobicContact CG1-CG2 4.13Å; V282-V286 WeakPolarHBondContact O-CB 3.4Å; V282-V286 WeakPolarHBondContact O-CG2 3.43Å; V282-V286 PolarHBondContact O-N 3.27Å; V282-F307 HydrophobicContact CB-CZ 4.1Å; V282-F307 HydrophobicContact CG1-CE1 4.39Å; V282-F307 HydrophobicContact CG1-CZ 3.85Å
283	R	85.6	Confident	82.1	Confident	70 Å²	70	68 Å²	68	26%	0.264	36%	0.356	S	S	.	.	H	α-helix	trans	-59	-44.9	178.8	-75.9	-178.7	180	106.1	2.3	111.5	Q279 D280 N285 V286 L287 F307	Q279-R283 WeakPolarHBondContact O-CG 3.43Å; Q279-R283 PolarHBondContact O-N 2.96Å; D280-R283 PolarHBondContact O-N 3.45Å; R283-N285 VanDerWaalsContact C-N 3.29Å; R283-N285 PolarHBondContact O-N 3.4Å; R283-V286 PolarHBondContact O-N 2.96Å; R283-L287 HydrophobicContact CB-CD1 3.92Å; R283-L287 HydrophobicContact CB-CG 4.2Å; R283-L287 HydrophobicContact CG-CD1 4.3Å; R283-L287 VanDerWaalsContact O-CB 3.24Å; R283-L287 WeakPolarHBondContact O-CB 3.44Å; R283-L287 WeakPolarHBondContact O-CG 3.32Å; R283-L287 PolarHBondContact O-N 3.49Å; R283-F307 HydrophobicContact CG-CE2 4.34Å; R283-F307 VanDerWaalsContact NH2-CD2 3.31Å
284	V	81.9	Confident	82.6	Confident	120 Å²	120	63.8 Å²	63.8	73%	0.727	34%	0.339	S	S	*	.	H	α-helix	trans	-60.3	-38.9	178.2	169.8	0	0	0	0	112.1	D280 E281 V282	D280-V284 VanDerWaalsContact O-CG2 3.28Å; D280-V284 WeakPolarHBondContact O-CG2 3.2Å; D280-V284 PolarHBondContact O-N 2.75Å; E281-V284 PolarHBondContact O-N 2.75Å; V282-V284 VanDerWaalsContact C-N 3.34Å; V282-V284 PolarHBondContact O-N 3.18Å
285	N	82.9	Confident	83.3	Confident	85 Å²	85	62.4 Å²	62.4	46%	0.455	33%	0.328	S	S	.	.	H	α-helix	trans	-86	-25.1	-176.4	-76	-76.8	0	0	0	114.2	I267 E281 V282 R283 L289	I267-N285 HydrophobicContact CG2-CB 4.31Å; E281-N285 WeakPolarHBondContact O-CB 3.24Å; E281-N285 PolarHBondContact O-N 3.12Å; E281-N285 PolarHBondContact O-ND2 3.46Å; V282-N285 PolarHBondContact O-N 2.84Å; R283-N285 VanDerWaalsContact C-N 3.29Å; R283-N285 PolarHBondContact O-N 3.4Å; N285-L289 VanDerWaalsContact O-CD1 3.28Å; N285-L289 WeakPolarHBondContact O-CD1 3.5Å
286	V	88.2	Confident	84	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-105.1	-34.7	-170.5	173.8	0	0	0	0	113.2	I264 I267 M268 V282 R283 L289 I302 V305 L344	I264-V286 HydrophobicContact CD1-CG1 4.14Å; I264-V286 HydrophobicContact CG2-CG1 3.93Å; I264-V286 HydrophobicContact CG2-CG2 4.13Å; I267-V286 HydrophobicContact CG2-CG2 4.15Å; M268-V286 HydrophobicContact CE-CG1 4.45Å; M268-V286 HydrophobicContact CE-CG2 4.5Å; M268-V286 HydrophobicContact CG-CG2 4.41Å; V282-V286 HydrophobicContact CG1-CG2 4.13Å; V282-V286 WeakPolarHBondContact O-CB 3.4Å; V282-V286 WeakPolarHBondContact O-CG2 3.43Å; V282-V286 PolarHBondContact O-N 3.27Å; R283-V286 PolarHBondContact O-N 2.96Å; V286-L289 WeakPolarHBondContact O-CB 3.34Å; V286-L289 WeakPolarHBondContact O-CG 3.35Å; V286-L289 PolarHBondContact O-N 2.9Å; V286-I302 HydrophobicContact CG1-CD1 3.43Å; V286-I302 VanDerWaalsContact CG1-CD1 3.43Å; V286-I302 HydrophobicContact CG1-CG2 4.09Å; V286-V305 HydrophobicContact CG1-CG2 4.09Å; V286-L344 HydrophobicContact CG1-CD2 4.15Å
287	L	87.4	Confident	84.4	Confident	55 Å²	55	55 Å²	55	29%	0.288	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	142.8	-177	-65.6	-177.9	0	0	0	111.4	R283 L289 I302 D304 V305	R283-L287 HydrophobicContact CB-CD1 3.92Å; R283-L287 HydrophobicContact CB-CG 4.2Å; R283-L287 HydrophobicContact CG-CD1 4.3Å; R283-L287 VanDerWaalsContact O-CB 3.24Å; R283-L287 WeakPolarHBondContact O-CB 3.44Å; R283-L287 WeakPolarHBondContact O-CG 3.32Å; R283-L287 PolarHBondContact O-N 3.49Å; L287-L289 PolarHBondContact O-N 3.46Å; L287-L289 VanDerWaalsContact O-N 3.14Å; L287-I302 HydrophobicContact CD2-CG2 4.17Å; L287-D304 VanDerWaalsContact CD2-CA 3.46Å; L287-V305 HydrophobicContact CD2-CG2 4.3Å
288	D	82.1	Confident	84.7	Confident	57 Å²	57	54.6 Å²	54.6	31%	0.305	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	-0.4	-175	-63.8	-51.8	0	0	0	117	R301 I302 R622	D288-R301 VanDerWaalsContact CG-NH2 3.29Å; D288-R301 IonicContact OD1-CZ 2.81Å; D288-R301 IonicContact OD1-NE 3.9Å; D288-R301 PolarHBondContact OD1-NE 3.29Å; D288-R301 IonicContact OD1-NH2 2.7Å; D288-R301 PolarHBondContact OD1-NH2 2.77Å; D288-R301 IonicContact OD2-NH2 3.4Å; D288-I302 WeakPolarHBondContact CA-O 3.39Å; D288-I302 PolarHBondContact N-O 3.49Å; D288-R622 IonicContact OD2-CZ 3.18Å; D288-R622 IonicContact OD2-NH1 2.96Å; D288-R622 PolarHBondContact OD2-NH1 3.17Å
289	L	86.5	Confident	84.9	Confident	40 Å²	40	54.5 Å²	54.5	21%	0.209	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-63.1	143.1	166.7	-65.2	-174.2	0	0	0	110	I264 I267 N285 V286 L287 I302 V370	I264-L289 HydrophobicContact CD1-CD1 4.09Å; I267-L289 HydrophobicContact CD1-CD1 4.45Å; N285-L289 VanDerWaalsContact O-CD1 3.28Å; N285-L289 WeakPolarHBondContact O-CD1 3.5Å; V286-L289 WeakPolarHBondContact O-CB 3.34Å; V286-L289 WeakPolarHBondContact O-CG 3.35Å; V286-L289 PolarHBondContact O-N 2.9Å; L287-L289 PolarHBondContact O-N 3.46Å; L287-L289 VanDerWaalsContact O-N 3.14Å; L289-I302 PolarHBondContact O-N 3.25Å; L289-V370 HydrophobicContact CD1-CG1 4.08Å; L289-V370 HydrophobicContact CD1-CG2 4.06Å; L289-V370 HydrophobicContact CD2-CG1 4.49Å
290	I	87	Confident	85.1	Confident	78 Å²	78	51.7 Å²	51.7	40%	0.4	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	118.1	169.7	-59.7	175	0	0	0	107	T299 Y300 T371	I290-T299 HydrophobicContact CG2-CG2 4.24Å; I290-Y300 CarbonylContact C-O 3.43Å; I290-Y300 WeakPolarHBondContact CA-O 3.15Å; I290-T371 WeakPolarHBondContact O-CB 3.43Å; I290-T371 PolarHBondContact O-N 2.94Å; I290-T371 PolarHBondContact O-OG1 3.16Å
291	V	90.3	Very high	85.4	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	150	176.3	-66.5	0	0	0	0	111.1	I264 T299 Y300 I302 L363 C368 R369	I264-V291 HydrophobicContact CD1-CG1 3.61Å; I264-V291 HydrophobicContact CG1-CG1 3.47Å; I264-V291 VanDerWaalsContact CG1-CG1 3.47Å; V291-T299 CarbonylContact O-C 3.18Å; V291-T299 WeakPolarHBondContact O-CA 3.33Å; V291-Y300 WeakPolarHBondContact CG2-O 3.39Å; V291-Y300 PolarHBondContact N-O 3.48Å; V291-Y300 PolarHBondContact O-N 3.02Å; V291-I302 HydrophobicContact CG1-CD1 3.65Å; V291-I302 HydrophobicContact CG1-CG1 4.24Å; V291-I302 HydrophobicContact CG2-CD1 4.35Å; V291-I302 HydrophobicContact CG2-CG1 4.13Å; V291-L363 HydrophobicContact CG2-CD1 4.25Å; V291-C368 HydrophobicContact CB-CB 3.97Å; V291-C368 HydrophobicContact CG1-CB 4.18Å; V291-C368 HydrophobicContact CG2-CB 4.13Å; V291-R369 CarbonylContact C-O 3.46Å; V291-R369 WeakPolarHBondContact CA-O 3.48Å
292	L	89.1	Confident	85.7	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	138.7	167	-172.6	77.4	0	0	0	108.5	V213 W234 M259 N297 R298 T299 R369 T371	V213-L292 HydrophobicContact CG1-CD1 4.23Å; W234-L292 HydrophobicContact CH2-CD2 3.58Å; W234-L292 HydrophobicContact CZ2-CD2 4.26Å; W234-L292 HydrophobicContact CZ3-CD2 3.92Å; M259-L292 HydrophobicContact CE-CB 3.57Å; M259-L292 HydrophobicContact CE-CD2 3.35Å; M259-L292 HydrophobicContact CE-CG 4.08Å; M259-L292 HydrophobicContact SD-CB 4.49Å; M259-L292 HydrophobicContact SD-CD2 4.01Å; L292-N297 VanDerWaalsContact CD1-C 3.48Å; L292-N297 WeakPolarHBondContact CD1-O 3.43Å; L292-R298 WeakPolarHBondContact CA-O 3.33Å; L292-T299 HydrophobicContact CB-CG2 4.44Å; L292-T299 HydrophobicContact CD1-CG2 3.6Å; L292-R369 PolarHBondContact N-O 2.71Å; L292-R369 PolarHBondContact O-N 3.16Å; L292-T371 HydrophobicContact CB-CG2 3.87Å
293	T	89.9	Confident	85.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	114.1	168.4	44.6	0	0	0	0	110.1	Y295 N296 N297 R298 Y300 L363	T293-Y295 VanDerWaalsContact CB-CE1 3.44Å; T293-Y295 VanDerWaalsContact CB-CZ 3.46Å; T293-Y295 HydrophobicContact CG2-CE1 3.68Å; T293-Y295 WeakPolarHBondContact CG2-OH 3.32Å; T293-Y295 PolarHBondContact O-N 3.34Å; T293-Y295 VanDerWaalsContact O-N 3.15Å; T293-N296 PolarHBondContact O-N 2.91Å; T293-N296 PolarHBondContact O-OD1 3.49Å; T293-N296 PolarHBondContact OG1-OD1 3.24Å; T293-N297 WeakPolarHBondContact O-CA 3.27Å; T293-N297 PolarHBondContact O-N 3.48Å; T293-R298 PolarHBondContact N-O 3.01Å; T293-R298 PolarHBondContact OG1-O 2.79Å; T293-R298 VanDerWaalsContact OG1-O 3.13Å; T293-Y300 HydrophobicContact CG2-CD2 4.23Å; T293-Y300 HydrophobicContact CG2-CE2 4.14Å; T293-Y300 WeakPolarHBondContact OG1-CE2 2.92Å; T293-L363 HydrophobicContact CG2-CD2 4.28Å
294	D	80.6	Confident	86.1	Confident	74 Å²	74	51.6 Å²	51.6	40%	0.396	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.1	-171	-67.6	-18.8	0	0	0	113.5	N296 R369	D294-N296 VanDerWaalsContact C-N 3.29Å; D294-N296 PolarHBondContact O-N 2.87Å; D294-R369 WeakPolarHBondContact OD1-CD 3.42Å; D294-R369 WeakPolarHBondContact OD2-CD 3.2Å
295	Y	85.5	Confident	86.6	Confident	40 Å²	40	46 Å²	46	16%	0.157	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-10.8	-177.9	59.4	-102.5	0	0	0	114.5	T293 Y328 Y332 I334 L367	T293-Y295 VanDerWaalsContact CB-CE1 3.44Å; T293-Y295 VanDerWaalsContact CB-CZ 3.46Å; T293-Y295 HydrophobicContact CG2-CE1 3.68Å; T293-Y295 WeakPolarHBondContact CG2-OH 3.32Å; T293-Y295 PolarHBondContact O-N 3.34Å; T293-Y295 VanDerWaalsContact O-N 3.15Å; Y295-Y328 HydrophobicContact CD1-CE1 4.29Å; Y295-Y328 HydrophobicContact CE1-CD1 4.3Å; Y295-Y328 AromaticContact CE1-CE1 3.6Å; Y295-Y328 HydrophobicContact CE1-CE1 3.6Å; Y295-Y328 AromaticContact CE2-CE1 3.9Å; Y295-Y328 HydrophobicContact CE2-CE1 3.9Å; Y295-Y328 AromaticContact CZ-CE1 3.41Å; Y295-Y328 VanDerWaalsContact CZ-CE1 3.41Å; Y295-Y328 WeakPolarHBondContact OH-CE1 3.27Å; Y295-Y328 PolarHBondContact OH-OH 2.91Å; Y295-Y328 VanDerWaalsContact OH-OH 3.07Å; Y295-Y332 AromaticContact CD2-CD1 3.84Å; Y295-Y332 HydrophobicContact CD2-CD1 3.84Å; Y295-Y332 AromaticContact CD2-CD2 3.91Å; Y295-Y332 HydrophobicContact CD2-CD2 3.91Å; Y295-Y332 AromaticContact CD2-CE1 3.64Å; Y295-Y332 HydrophobicContact CD2-CE1 3.64Å; Y295-Y332 AromaticContact CD2-CE2 3.69Å; Y295-Y332 HydrophobicContact CD2-CE2 3.69Å; Y295-Y332 AromaticContact CD2-CG 3.96Å; Y295-Y332 HydrophobicContact CD2-CG 3.96Å; Y295-Y332 AromaticContact CD2-CZ 3.55Å; Y295-Y332 HydrophobicContact CE2-CD2 4.32Å; Y295-Y332 HydrophobicContact CE2-CE1 4.3Å; Y295-Y332 AromaticContact CE2-CE2 3.76Å; Y295-Y332 HydrophobicContact CE2-CE2 3.76Å; Y295-Y332 AromaticContact CE2-CZ 3.74Å; Y295-Y332 HydrophobicContact CG-CD1 4.37Å; Y295-Y332 HydrophobicContact CG-CD2 4.39Å; Y295-Y332 HydrophobicContact CG-CG 4.27Å; Y295-I334 VanDerWaalsContact CB-CD1 3.43Å; Y295-I334 HydrophobicContact CD1-CD1 4.24Å; Y295-I334 HydrophobicContact CG-CD1 4.16Å; Y295-L367 HydrophobicContact CD1-CB 4.22Å; Y295-L367 HydrophobicContact CD1-CD1 4.39Å; Y295-L367 HydrophobicContact CE1-CB 3.93Å; Y295-L367 HydrophobicContact CE1-CD1 4.23Å
296	N	83.9	Confident	87.1	Confident	36 Å²	36	43.8 Å²	43.8	19%	0.193	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-148.4	4.7	178	68	12.9	0	0	0	114.3	T293 D294 R298	T293-N296 PolarHBondContact O-N 2.91Å; T293-N296 PolarHBondContact O-OD1 3.49Å; T293-N296 PolarHBondContact OG1-OD1 3.24Å; D294-N296 VanDerWaalsContact C-N 3.29Å; D294-N296 PolarHBondContact O-N 2.87Å; N296-R298 HydrophobicContact CB-CG 4.43Å; N296-R298 PolarHBondContact O-N 2.93Å; N296-R298 VanDerWaalsContact O-N 3.08Å; N296-R298 VanDerWaalsContact OD1-CB 3.28Å; N296-R298 WeakPolarHBondContact OD1-CB 3.33Å; N296-R298 PolarHBondContact OD1-N 3.25Å
297	N	79.7	Confident	87.3	Confident	21 Å²	21	46.2 Å²	46.2	11%	0.112	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	28.7	-177.9	-57.7	-53.4	0	0	0	115	E211 L292 T293	E211-N297 HydrophobicContact CB-CB 4.3Å; E211-N297 HydrophobicContact CG-CB 4.34Å; E211-N297 WeakPolarHBondContact CG-ND2 3.29Å; E211-N297 PolarHBondContact OE1-ND2 2.68Å; E211-N297 PolarHBondContact OE2-ND2 2.65Å; L292-N297 VanDerWaalsContact CD1-C 3.48Å; L292-N297 WeakPolarHBondContact CD1-O 3.43Å; T293-N297 WeakPolarHBondContact O-CA 3.27Å; T293-N297 PolarHBondContact O-N 3.48Å
298	R	83.1	Confident	87.5	Confident	156 Å²	156	46.9 Å²	46.9	59%	0.589	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	141.8	176	-66.2	-174.9	177.5	-169.7	-0.4	111.2	L292 T293 N296 Y300	L292-R298 WeakPolarHBondContact CA-O 3.33Å; T293-R298 PolarHBondContact N-O 3.01Å; T293-R298 PolarHBondContact OG1-O 2.79Å; T293-R298 VanDerWaalsContact OG1-O 3.13Å; N296-R298 HydrophobicContact CB-CG 4.43Å; N296-R298 PolarHBondContact O-N 2.93Å; N296-R298 VanDerWaalsContact O-N 3.08Å; N296-R298 VanDerWaalsContact OD1-CB 3.28Å; N296-R298 WeakPolarHBondContact OD1-CB 3.33Å; N296-R298 PolarHBondContact OD1-N 3.25Å; R298-Y300 HydrophobicContact CB-CD2 4.47Å; R298-Y300 HydrophobicContact CB-CE2 3.57Å; R298-Y300 VanDerWaalsContact CD-OH 3.26Å; R298-Y300 WeakPolarHBondContact CD-OH 3.28Å
299	T	84.5	Confident	88.1	Confident	47 Å²	47	47.3 Å²	47.3	29%	0.288	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	138	174.7	55.2	0	0	0	0	111.9	V213 I290 V291 L292	V213-T299 HydrophobicContact CG1-CG2 3.65Å; I290-T299 HydrophobicContact CG2-CG2 4.24Å; V291-T299 CarbonylContact O-C 3.18Å; V291-T299 WeakPolarHBondContact O-CA 3.33Å; L292-T299 HydrophobicContact CB-CG2 4.44Å; L292-T299 HydrophobicContact CD1-CG2 3.6Å
300	Y	87.4	Confident	88.5	Confident	35 Å²	35	47.3 Å²	47.3	14%	0.137	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	141.9	177.7	-58.7	-86.8	0	0	0	109.5	I290 V291 T293 R298 V361 L363	I290-Y300 CarbonylContact C-O 3.43Å; I290-Y300 WeakPolarHBondContact CA-O 3.15Å; V291-Y300 WeakPolarHBondContact CG2-O 3.39Å; V291-Y300 PolarHBondContact N-O 3.48Å; V291-Y300 PolarHBondContact O-N 3.02Å; T293-Y300 HydrophobicContact CG2-CD2 4.23Å; T293-Y300 HydrophobicContact CG2-CE2 4.14Å; T293-Y300 WeakPolarHBondContact OG1-CE2 2.92Å; R298-Y300 HydrophobicContact CB-CD2 4.47Å; R298-Y300 HydrophobicContact CB-CE2 3.57Å; R298-Y300 VanDerWaalsContact CD-OH 3.26Å; R298-Y300 WeakPolarHBondContact CD-OH 3.28Å; Y300-V361 HydrophobicContact CD1-CG1 4.19Å; Y300-V361 HydrophobicContact CE1-CB 4.42Å; Y300-V361 HydrophobicContact CE1-CG1 3.86Å; Y300-V361 HydrophobicContact CE1-CG2 4.33Å; Y300-L363 HydrophobicContact CD1-CD1 4.34Å; Y300-L363 HydrophobicContact CD2-CD1 3.61Å; Y300-L363 HydrophobicContact CD2-CD2 4.12Å; Y300-L363 HydrophobicContact CE2-CD1 4.39Å; Y300-L363 HydrophobicContact CE2-CD2 4.07Å; Y300-L363 HydrophobicContact CG-CD1 3.58Å; Y300-L363 HydrophobicContact CG-CD2 4.47Å
301	R	88.3	Confident	89	Confident	127 Å²	127	43.6 Å²	43.6	48%	0.479	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	127.4	168.6	-177.5	175.9	177	172.6	0.5	108.1	D288 N303 S346	D288-R301 VanDerWaalsContact CG-NH2 3.29Å; D288-R301 IonicContact OD1-CZ 2.81Å; D288-R301 IonicContact OD1-NE 3.9Å; D288-R301 PolarHBondContact OD1-NE 3.29Å; D288-R301 IonicContact OD1-NH2 2.7Å; D288-R301 PolarHBondContact OD1-NH2 2.77Å; D288-R301 IonicContact OD2-NH2 3.4Å; R301-N303 PolarHBondContact O-N 2.95Å; R301-N303 PolarHBondContact O-OD1 3.02Å; R301-N303 VanDerWaalsContact O-OD1 3.12Å; R301-S346 VanDerWaalsContact O-CB 3.31Å; R301-S346 WeakPolarHBondContact O-CB 3.39Å; R301-S346 PolarHBondContact O-OG 2.84Å
302	I	90.5	Very high	89.3	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	25%	0.249	C	C	.	.			trans	-76.2	122.3	177.6	-54.8	172	0	0	0	108.2	I264 V286 L287 D288 L289 V291 D304 V305 L344	I264-I302 HydrophobicContact CD1-CD1 3.78Å; I264-I302 HydrophobicContact CG1-CD1 4.01Å; V286-I302 HydrophobicContact CG1-CD1 3.43Å; V286-I302 VanDerWaalsContact CG1-CD1 3.43Å; V286-I302 HydrophobicContact CG1-CG2 4.09Å; L287-I302 HydrophobicContact CD2-CG2 4.17Å; D288-I302 WeakPolarHBondContact CA-O 3.39Å; D288-I302 PolarHBondContact N-O 3.49Å; L289-I302 PolarHBondContact O-N 3.25Å; V291-I302 HydrophobicContact CG1-CD1 3.65Å; V291-I302 HydrophobicContact CG1-CG1 4.24Å; V291-I302 HydrophobicContact CG2-CD1 4.35Å; V291-I302 HydrophobicContact CG2-CG1 4.13Å; I302-D304 WeakPolarHBondContact CG2-O 3.32Å; I302-V305 HydrophobicContact CG2-CG2 4.39Å; I302-L344 HydrophobicContact CD1-CD1 3.8Å; I302-L344 HydrophobicContact CD1-CD2 4.21Å; I302-L344 HydrophobicContact CD1-CG 4.48Å; I302-L344 HydrophobicContact CG1-CD1 4.32Å; I302-L344 HydrophobicContact CG2-CB 4.41Å; I302-L344 HydrophobicContact CG2-CD2 4.34Å
303	N	89.3	Confident	89.5	Confident	47 Å²	47	51.2 Å²	51.2	25%	0.251	26%	0.259	S	S	.	.			trans	-105	-28.8	179.7	-64.9	107.5	0	0	0	112.4	R301 I345 K347	R301-N303 PolarHBondContact O-N 2.95Å; R301-N303 PolarHBondContact O-OD1 3.02Å; R301-N303 VanDerWaalsContact O-OD1 3.12Å; N303-I345 PolarHBondContact N-O 2.77Å; N303-K347 HydrophobicContact CB-CB 4.5Å; N303-K347 PolarHBondContact OD1-N 2.91Å; N303-K347 PolarHBondContact OD1-O 3.17Å
304	D	90.9	Very high	89.7	Confident	64 Å²	64	55.5 Å²	55.5	34%	0.342	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	167.5	175	-145.3	-20.1	0	0	0	110.9	L287 I302 I345	L287-D304 VanDerWaalsContact CD2-CA 3.46Å; I302-D304 WeakPolarHBondContact CG2-O 3.32Å; D304-I345 HydrophobicContact CB-CB 3.97Å; D304-I345 HydrophobicContact CB-CD1 4.3Å; D304-I345 HydrophobicContact CB-CG1 4.49Å; D304-I345 PolarHBondContact N-O 2.97Å; D304-I345 VanDerWaalsContact N-O 3.14Å; D304-I345 PolarHBondContact O-N 2.79Å
305	V	92.6	Very high	90.2	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.012	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	119.9	170.1	-177.2	0	0	0	0	108.1	M268 V286 L287 I302 F307 P342 L343 L344	M268-V305 HydrophobicContact CE-CG1 3.68Å; M268-V305 HydrophobicContact CE-CG2 4.13Å; V286-V305 HydrophobicContact CG1-CG2 4.09Å; L287-V305 HydrophobicContact CD2-CG2 4.3Å; I302-V305 HydrophobicContact CG2-CG2 4.39Å; V305-F307 HydrophobicContact CB-CE2 3.87Å; V305-F307 HydrophobicContact CB-CZ 4.23Å; V305-F307 HydrophobicContact CG1-CD2 4.15Å; V305-F307 HydrophobicContact CG1-CE1 4.2Å; V305-F307 HydrophobicContact CG1-CE2 3.67Å; V305-F307 HydrophobicContact CG1-CZ 3.71Å; V305-F307 WeakPolarHBondContact O-CD2 3.01Å; V305-P342 HydrophobicContact CG1-CB 3.96Å; V305-P342 HydrophobicContact CG1-CG 4.13Å; V305-L343 CarbonylContact C-O 3.59Å; V305-L343 WeakPolarHBondContact CA-O 3.36Å; V305-L344 HydrophobicContact CG1-CD2 4.47Å; V305-L344 HydrophobicContact CG2-CD2 3.98Å
306	D	93.2	Very high	90.3	Very high	40 Å²	40	56.7 Å²	56.7	21%	0.214	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	110.8	177.6	-168.1	-17.9	0	0	0	109.8	G308 Q309 P342 L343 I345	D306-G308 WeakPolarHBondContact OD1-CA 3.48Å; D306-G308 PolarHBondContact OD1-N 3.02Å; D306-Q309 PolarHBondContact OD1-N 2.85Å; D306-Q309 PolarHBondContact OD2-NE2 3.18Å; D306-P342 WeakPolarHBondContact O-CA 3.42Å; D306-P342 VanDerWaalsContact O-CB 3.26Å; D306-P342 WeakPolarHBondContact O-CB 3.31Å; D306-L343 PolarHBondContact N-O 3.05Å; D306-L343 PolarHBondContact O-N 3.45Å; D306-I345 HydrophobicContact CB-CD1 3.88Å; D306-I345 HydrophobicContact CB-CG1 4.21Å
307	F	91.1	Very high	90	Very high	50 Å²	50	57 Å²	57	22%	0.219	30%	0.303	C	S	.	.	S	Bend	trans	-90.6	-8.3	177.4	-63.4	-92.5	0	0	0	112.9	Q279 V282 R283 V305 P342	Q279-F307 HydrophobicContact CB-CE1 4.27Å; Q279-F307 HydrophobicContact CB-CE2 4.04Å; Q279-F307 HydrophobicContact CB-CZ 3.89Å; Q279-F307 HydrophobicContact CG-CD1 3.97Å; Q279-F307 HydrophobicContact CG-CD2 4.3Å; Q279-F307 HydrophobicContact CG-CE1 3.88Å; Q279-F307 HydrophobicContact CG-CE2 4.22Å; Q279-F307 HydrophobicContact CG-CG 4.17Å; Q279-F307 HydrophobicContact CG-CZ 4.01Å; V282-F307 HydrophobicContact CB-CZ 4.1Å; V282-F307 HydrophobicContact CG1-CE1 4.39Å; V282-F307 HydrophobicContact CG1-CZ 3.85Å; R283-F307 HydrophobicContact CG-CE2 4.34Å; R283-F307 VanDerWaalsContact NH2-CD2 3.31Å; V305-F307 HydrophobicContact CB-CE2 3.87Å; V305-F307 HydrophobicContact CB-CZ 4.23Å; V305-F307 HydrophobicContact CG1-CD2 4.15Å; V305-F307 HydrophobicContact CG1-CE1 4.2Å; V305-F307 HydrophobicContact CG1-CE2 3.67Å; V305-F307 HydrophobicContact CG1-CZ 3.71Å; V305-F307 WeakPolarHBondContact O-CD2 3.01Å; F307-P342 HydrophobicContact CD1-CB 3.83Å; F307-P342 HydrophobicContact CD1-CG 4.15Å; F307-P342 HydrophobicContact CE1-CB 4.27Å; F307-P342 HydrophobicContact CE1-CG 4.16Å; F307-P342 HydrophobicContact CG-CB 4.27Å
308	G	92	Very high	89.9	Confident	70 Å²	70	66.1 Å²	66.1	72%	0.722	34%	0.341	S	S	*	.	S	Bend	trans	-86.9	-20.3	177.6	0	0	0	0	0	113.2	D306	D306-G308 WeakPolarHBondContact OD1-CA 3.48Å; D306-G308 PolarHBondContact OD1-N 3.02Å
309	Q	94.1	Very high	89.8	Confident	66 Å²	66	62 Å²	62	31%	0.308	35%	0.348	S	S	.	.			trans	-105	154.8	175.8	-67	-173	66.9	0	0	112.3	D306 L343	D306-Q309 PolarHBondContact OD1-N 2.85Å; D306-Q309 PolarHBondContact OD2-NE2 3.18Å; Q309-L343 HydrophobicContact CB-CD1 3.5Å; Q309-L343 VanDerWaalsContact CB-CD1 3.5Å; Q309-L343 HydrophobicContact CB-CG 4.06Å
310	T	95.9	Very high	89.9	Confident	39 Å²	39	69.4 Å²	69.4	24%	0.239	37%	0.371	C	S	.	.			trans	-134.3	170	-178.8	64.8	0	0	0	0	110.4	K312 S313 H339	T310-K312 PolarHBondContact O-N 2.79Å; T310-K312 PolarHBondContact OG1-N 3.3Å; T310-S313 PolarHBondContact N-OG 2.9Å; T310-S313 VanDerWaalsContact N-OG 3.08Å; T310-S313 WeakPolarHBondContact O-CB 3.39Å; T310-S313 PolarHBondContact O-N 3.41Å; T310-S313 PolarHBondContact O-OG 3.11Å; T310-H339 WeakPolarHBondContact CB-O 3.45Å
311	P	96.7	Very high	90	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-21.8	171.7	-29.8	34.7	0	0	0	115	S313 F324 V325 I336 Q341 I364	P311-S313 VanDerWaalsContact C-N 3.34Å; P311-F324 WeakPolarHBondContact O-CB 3.31Å; P311-F324 PolarHBondContact O-N 2.83Å; P311-V325 HydrophobicContact CB-CG2 3.84Å; P311-V325 WeakPolarHBondContact O-CG2 3.34Å; P311-V325 PolarHBondContact O-N 2.79Å; P311-I336 HydrophobicContact CB-CD1 4.03Å; P311-I336 HydrophobicContact CB-CG2 4.05Å; P311-I336 HydrophobicContact CG-CG2 3.99Å; P311-Q341 WeakPolarHBondContact CD-O 3.45Å; P311-Q341 HydrophobicContact CG-CG 3.68Å; P311-I364 HydrophobicContact CB-CD1 4.16Å; P311-I364 HydrophobicContact CG-CD1 3.99Å
312	K	96.1	Very high	90.4	Very high	130 Å²	130	69.1 Å²	69.1	57%	0.565	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-16.7	175.4	-67.5	177	173	172.6	0	113.4	T310 H339	T310-K312 PolarHBondContact O-N 2.79Å; T310-K312 PolarHBondContact OG1-N 3.3Å; K312-H339 HydrophobicContact CD-CB 4.31Å; K312-H339 HydrophobicContact CG-CB 4.26Å
313	S	95.3	Very high	90.6	Very high	31 Å²	31	69.7 Å²	69.7	22%	0.217	39%	0.385	C	S	.	.			trans	-62.7	152.7	174.6	-57.7	0	0	0	0	111	T310 P311 S323 F324	T310-S313 PolarHBondContact N-OG 2.9Å; T310-S313 VanDerWaalsContact N-OG 3.08Å; T310-S313 WeakPolarHBondContact O-CB 3.39Å; T310-S313 PolarHBondContact O-N 3.41Å; T310-S313 PolarHBondContact O-OG 3.11Å; P311-S313 VanDerWaalsContact C-N 3.34Å; S313-S323 WeakPolarHBondContact O-CA 3.39Å; S313-F324 VanDerWaalsContact O-CD2 3.23Å; S313-F324 WeakPolarHBondContact O-CD2 3.37Å; S313-F324 PolarHBondContact O-N 3.31Å
314	T	92.8	Very high	90.9	Very high	89 Å²	89	67.9 Å²	67.9	55%	0.546	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	156.1	-176.9	55.5	0	0	0	0	112.1	I322	T314-I322 VanDerWaalsContact CA-O 3.32Å; T314-I322 WeakPolarHBondContact CA-O 3.34Å
315	F	90.8	Very high	91.1	Very high	60 Å²	60	66.5 Å²	66.5	26%	0.263	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	154.6	171.3	73.8	-76.3	0	0	0	110.7	C317 I322 F324 Y327	F315-C317 HydrophobicContact CD2-CB 4.45Å; F315-C317 HydrophobicContact CE2-CB 3.86Å; F315-C317 HydrophobicContact CZ-CB 4.37Å; F315-C317 PolarHBondContact O-N 3.35Å; F315-I322 HydrophobicContact CD1-CG2 4.33Å; F315-I322 WeakPolarHBondContact CD1-O 3.26Å; F315-I322 HydrophobicContact CE1-CG2 3.83Å; F315-I322 HydrophobicContact CZ-CG2 3.99Å; F315-I322 PolarHBondContact N-O 3.33Å; F315-I322 PolarHBondContact O-N 2.85Å; F315-I322 VanDerWaalsContact O-N 3.08Å; F315-F324 HydrophobicContact CB-CZ 4.41Å; F315-F324 AromaticContact CD1-CD1 3.9Å; F315-F324 HydrophobicContact CD1-CD1 3.9Å; F315-F324 AromaticContact CD1-CE1 3.67Å; F315-F324 HydrophobicContact CD1-CE1 3.67Å; F315-F324 HydrophobicContact CD1-CG 4.42Å; F315-F324 HydrophobicContact CD1-CZ 4.01Å; F315-F324 AromaticContact CE1-CD1 3.87Å; F315-F324 HydrophobicContact CE1-CD1 3.87Å; F315-F324 AromaticContact CE1-CE1 3.99Å; F315-F324 HydrophobicContact CE1-CE1 3.99Å; F315-F324 HydrophobicContact CG-CE1 4.26Å; F315-F324 HydrophobicContact CG-CZ 4.42Å; F315-Y327 HydrophobicContact CE1-CD1 4.48Å; F315-Y327 HydrophobicContact CE1-CD2 4.32Å; F315-Y327 AromaticContact CE1-CG 4Å; F315-Y327 HydrophobicContact CE1-CG 4Å; F315-Y327 HydrophobicContact CZ-CD1 4.15Å; F315-Y327 AromaticContact CZ-CD2 3.62Å; F315-Y327 HydrophobicContact CZ-CD2 3.62Å; F315-Y327 HydrophobicContact CZ-CE1 4.49Å; F315-Y327 AromaticContact CZ-CE2 3.97Å; F315-Y327 HydrophobicContact CZ-CE2 3.97Å; F315-Y327 AromaticContact CZ-CG 3.68Å; F315-Y327 HydrophobicContact CZ-CG 3.68Å
316	S	87.6	Confident	91.3	Very high	79 Å²	79	71.5 Å²	71.5	55%	0.552	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	120.1	-179.6	-160	0	0	0	0	111.6	D321	S316-D321 WeakPolarHBondContact CA-OD1 3.24Å; S316-D321 VanDerWaalsContact CB-OD1 3.29Å; S316-D321 WeakPolarHBondContact CB-OD1 3.44Å; S316-D321 PolarHBondContact OG-OD1 2.99Å
317	C	79.4	Confident	91.3	Very high	44 Å²	44	71.6 Å²	71.6	30%	0.297	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	108.8	176.8	178.8	0	0	0	0	110	F315 G319 R320 I322	F315-C317 HydrophobicContact CD2-CB 4.45Å; F315-C317 HydrophobicContact CE2-CB 3.86Å; F315-C317 HydrophobicContact CZ-CB 4.37Å; F315-C317 PolarHBondContact O-N 3.35Å; C317-G319 PolarHBondContact O-N 2.99Å; C317-R320 PolarHBondContact N-O 3.09Å; C317-R320 PolarHBondContact O-N 3.31Å; C317-R320 VanDerWaalsContact O-N 3.17Å; C317-I322 HydrophobicContact CB-CG2 4.04Å
318	K	76.1	Confident	91.6	Very high	211 Å²	211	69.6 Å²	69.6	92%	0.917	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	39.1	-178.5	-57.8	-179.2	178	178.7	0	113.3
319	G	80.6	Confident	91.7	Very high	71 Å²	71	69.2 Å²	69.2	73%	0.732	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	8.9	178.6	0	0	0	0	0	115	C317	C317-G319 PolarHBondContact O-N 2.99Å
320	R	86.8	Confident	91.7	Very high	202 Å²	202	71.7 Å²	71.7	76%	0.762	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.1	169.8	-64.5	-174.6	-176.3	-177.3	-0.5	110	C317	C317-R320 PolarHBondContact N-O 3.09Å; C317-R320 PolarHBondContact O-N 3.31Å; C317-R320 VanDerWaalsContact O-N 3.17Å
321	D	90.8	Very high	91.5	Very high	118 Å²	118	75.4 Å²	75.4	63%	0.631	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	128.4	173	-66.3	-17.8	0	0	0	109.4	S316	S316-D321 WeakPolarHBondContact CA-OD1 3.24Å; S316-D321 VanDerWaalsContact CB-OD1 3.29Å; S316-D321 WeakPolarHBondContact CB-OD1 3.44Å; S316-D321 PolarHBondContact OG-OD1 2.99Å
322	I	95.1	Very high	91.3	Very high	38 Å²	38	78.3 Å²	78.3	20%	0.195	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	142.7	-176.8	-169.8	169.2	0	0	0	108.9	T314 F315 C317 E326 Y327	T314-I322 VanDerWaalsContact CA-O 3.32Å; T314-I322 WeakPolarHBondContact CA-O 3.34Å; F315-I322 HydrophobicContact CD1-CG2 4.33Å; F315-I322 WeakPolarHBondContact CD1-O 3.26Å; F315-I322 HydrophobicContact CE1-CG2 3.83Å; F315-I322 HydrophobicContact CZ-CG2 3.99Å; F315-I322 PolarHBondContact N-O 3.33Å; F315-I322 PolarHBondContact O-N 2.85Å; F315-I322 VanDerWaalsContact O-N 3.08Å; C317-I322 HydrophobicContact CB-CG2 4.04Å; I322-E326 HydrophobicContact CD1-CB 3.98Å; I322-E326 HydrophobicContact CG1-CB 3.62Å; I322-Y327 HydrophobicContact CG2-CD2 4.5Å
323	S	95.5	Very high	91.3	Very high	13 Å²	13	78.4 Å²	78.4	9%	0.091	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	158.1	174.1	69.3	0	0	0	0	111.3	S313 V325 E326 Y327	S313-S323 WeakPolarHBondContact O-CA 3.39Å; S323-V325 VanDerWaalsContact C-N 3.28Å; S323-V325 PolarHBondContact O-N 2.92Å; S323-E326 PolarHBondContact O-N 2.96Å; S323-E326 WeakPolarHBondContact OG-CB 3.43Å; S323-E326 VanDerWaalsContact OG-CG 3.29Å; S323-E326 WeakPolarHBondContact OG-CG 3.41Å; S323-E326 PolarHBondContact OG-N 2.81Å; S323-E326 VanDerWaalsContact OG-N 3.15Å; S323-Y327 WeakPolarHBondContact O-CB 3.3Å; S323-Y327 PolarHBondContact O-N 3.39Å
324	F	95.5	Very high	91.3	Very high	8 Å²	8	79.1 Å²	79.1	4%	0.035	41%	0.413	C	S	.	.	H	α-helix	trans	-61.2	-40.7	173.7	-65.2	-77.6	0	0	0	111.2	P311 S313 F315 E326 Y327 Y328 L343 V362 I364	P311-F324 WeakPolarHBondContact O-CB 3.31Å; P311-F324 PolarHBondContact O-N 2.83Å; S313-F324 VanDerWaalsContact O-CD2 3.23Å; S313-F324 WeakPolarHBondContact O-CD2 3.37Å; S313-F324 PolarHBondContact O-N 3.31Å; F315-F324 HydrophobicContact CB-CZ 4.41Å; F315-F324 AromaticContact CD1-CD1 3.9Å; F315-F324 HydrophobicContact CD1-CD1 3.9Å; F315-F324 AromaticContact CD1-CE1 3.67Å; F315-F324 HydrophobicContact CD1-CE1 3.67Å; F315-F324 HydrophobicContact CD1-CG 4.42Å; F315-F324 HydrophobicContact CD1-CZ 4.01Å; F315-F324 AromaticContact CE1-CD1 3.87Å; F315-F324 HydrophobicContact CE1-CD1 3.87Å; F315-F324 AromaticContact CE1-CE1 3.99Å; F315-F324 HydrophobicContact CE1-CE1 3.99Å; F315-F324 HydrophobicContact CG-CE1 4.26Å; F315-F324 HydrophobicContact CG-CZ 4.42Å; F324-E326 PolarHBondContact O-N 2.92Å; F324-Y327 PolarHBondContact O-N 2.83Å; F324-Y328 HydrophobicContact CB-CD2 4.32Å; F324-Y328 HydrophobicContact CB-CE2 4.38Å; F324-Y328 HydrophobicContact CD1-CE2 4.29Å; F324-Y328 WeakPolarHBondContact O-CD2 3.39Å; F324-Y328 PolarHBondContact O-N 2.78Å; F324-L343 HydrophobicContact CD2-CD1 3.88Å; F324-L343 HydrophobicContact CE2-CD1 3.38Å; F324-L343 HydrophobicContact CZ-CD1 3.93Å; F324-V362 HydrophobicContact CE1-CB 3.88Å; F324-V362 HydrophobicContact CE1-CG1 4.01Å; F324-V362 HydrophobicContact CE2-CG1 4.39Å; F324-V362 HydrophobicContact CZ-CB 3.8Å; F324-V362 HydrophobicContact CZ-CG1 3.65Å; F324-V362 HydrophobicContact CZ-CG2 4.39Å; F324-I364 HydrophobicContact CB-CD1 3.9Å; F324-I364 HydrophobicContact CG-CD1 4.21Å
325	V	96.3	Very high	91.4	Very high	36 Å²	36	84.3 Å²	84.3	22%	0.218	42%	0.423	C	S	.	.	H	α-helix	trans	-55.5	-51.6	176.4	175.7	0	0	0	0	111.5	P311 S323 L329 I336	P311-V325 HydrophobicContact CB-CG2 3.84Å; P311-V325 WeakPolarHBondContact O-CG2 3.34Å; P311-V325 PolarHBondContact O-N 2.79Å; S323-V325 VanDerWaalsContact C-N 3.28Å; S323-V325 PolarHBondContact O-N 2.92Å; V325-L329 VanDerWaalsContact O-CB 3.32Å; V325-L329 WeakPolarHBondContact O-CB 3.43Å; V325-L329 PolarHBondContact O-N 3.28Å; V325-I336 HydrophobicContact CG2-CB 4.45Å; V325-I336 HydrophobicContact CG2-CD1 4.19Å
326	E	95	Very high	91.7	Very high	106 Å²	106	82 Å²	82	50%	0.495	41%	0.413	S	S	.	.	H	α-helix	trans	-66	-39.4	179.9	-74.8	164.9	-166.6	0	0	112.4	I322 S323 F324 L329 T330	I322-E326 HydrophobicContact CD1-CB 3.98Å; I322-E326 HydrophobicContact CG1-CB 3.62Å; S323-E326 PolarHBondContact O-N 2.96Å; S323-E326 WeakPolarHBondContact OG-CB 3.43Å; S323-E326 VanDerWaalsContact OG-CG 3.29Å; S323-E326 WeakPolarHBondContact OG-CG 3.41Å; S323-E326 PolarHBondContact OG-N 2.81Å; S323-E326 VanDerWaalsContact OG-N 3.15Å; F324-E326 PolarHBondContact O-N 2.92Å; E326-L329 PolarHBondContact O-N 2.91Å; E326-T330 VanDerWaalsContact O-CB 3.25Å; E326-T330 WeakPolarHBondContact O-CB 3.19Å; E326-T330 PolarHBondContact O-N 3.39Å; E326-T330 PolarHBondContact O-OG1 3.46Å
327	Y	94.9	Very high	92.1	Very high	43 Å²	43	87.8 Å²	87.8	17%	0.169	42%	0.423	C	S	.	.	H	α-helix	trans	-61.9	-49.8	178.4	173.2	-97.6	0	0	0	112	F315 I322 S323 F324 L329 T330 K331 Y332	F315-Y327 HydrophobicContact CE1-CD1 4.48Å; F315-Y327 HydrophobicContact CE1-CD2 4.32Å; F315-Y327 AromaticContact CE1-CG 4Å; F315-Y327 HydrophobicContact CE1-CG 4Å; F315-Y327 HydrophobicContact CZ-CD1 4.15Å; F315-Y327 AromaticContact CZ-CD2 3.62Å; F315-Y327 HydrophobicContact CZ-CD2 3.62Å; F315-Y327 HydrophobicContact CZ-CE1 4.49Å; F315-Y327 AromaticContact CZ-CE2 3.97Å; F315-Y327 HydrophobicContact CZ-CE2 3.97Å; F315-Y327 AromaticContact CZ-CG 3.68Å; F315-Y327 HydrophobicContact CZ-CG 3.68Å; I322-Y327 HydrophobicContact CG2-CD2 4.5Å; S323-Y327 WeakPolarHBondContact O-CB 3.3Å; S323-Y327 PolarHBondContact O-N 3.39Å; F324-Y327 PolarHBondContact O-N 2.83Å; Y327-L329 VanDerWaalsContact C-N 3.33Å; Y327-T330 PolarHBondContact O-N 2.93Å; Y327-K331 HydrophobicContact CE1-CD 4.18Å; Y327-K331 HydrophobicContact CE2-CD 3.67Å; Y327-K331 VanDerWaalsContact CZ-CD 3.47Å; Y327-K331 WeakPolarHBondContact O-CB 3.45Å; Y327-K331 PolarHBondContact O-N 3.46Å; Y327-K331 WeakPolarHBondContact OH-CD 3.42Å; Y327-K331 PolarHBondContact OH-NZ 3.02Å; Y327-Y332 AromaticContact CE1-CE2 3.84Å; Y327-Y332 HydrophobicContact CE1-CE2 3.84Å
328	Y	95.5	Very high	92.8	Very high	7 Å²	7	87.8 Å²	87.8	3%	0.027	42%	0.419	C	S	.	.	H	α-helix	trans	-68.3	-34.7	-178.7	-79.1	-71.5	0	0	0	112	Y295 F324 Y332 N333 I334 I336 I364 L367	Y295-Y328 HydrophobicContact CD1-CE1 4.29Å; Y295-Y328 HydrophobicContact CE1-CD1 4.3Å; Y295-Y328 AromaticContact CE1-CE1 3.6Å; Y295-Y328 HydrophobicContact CE1-CE1 3.6Å; Y295-Y328 AromaticContact CE2-CE1 3.9Å; Y295-Y328 HydrophobicContact CE2-CE1 3.9Å; Y295-Y328 AromaticContact CZ-CE1 3.41Å; Y295-Y328 VanDerWaalsContact CZ-CE1 3.41Å; Y295-Y328 WeakPolarHBondContact OH-CE1 3.27Å; Y295-Y328 PolarHBondContact OH-OH 2.91Å; Y295-Y328 VanDerWaalsContact OH-OH 3.07Å; F324-Y328 HydrophobicContact CB-CD2 4.32Å; F324-Y328 HydrophobicContact CB-CE2 4.38Å; F324-Y328 HydrophobicContact CD1-CE2 4.29Å; F324-Y328 WeakPolarHBondContact O-CD2 3.39Å; F324-Y328 PolarHBondContact O-N 2.78Å; Y328-Y332 AromaticContact CD1-CD2 3.7Å; Y328-Y332 HydrophobicContact CD1-CD2 3.7Å; Y328-Y332 HydrophobicContact CD1-CE2 4.06Å; Y328-Y332 HydrophobicContact CE1-CD2 4.19Å; Y328-Y332 HydrophobicContact CE1-CE2 4.11Å; Y328-Y332 CarbonylContact O-C 3.48Å; Y328-Y332 PolarHBondContact O-N 3.19Å; Y328-Y332 VanDerWaalsContact O-N 3.1Å; Y328-N333 PolarHBondContact O-N 3.01Å; Y328-I334 CarbonylContact C-O 3.42Å; Y328-I334 PolarHBondContact O-N 3.34Å; Y328-I336 HydrophobicContact CD2-CD1 3.95Å; Y328-I364 HydrophobicContact CD2-CG1 3.93Å; Y328-I364 HydrophobicContact CE2-CD1 4.31Å; Y328-I364 HydrophobicContact CE2-CG1 3.46Å; Y328-I364 VanDerWaalsContact CE2-CG1 3.46Å; Y328-L367 HydrophobicContact CD1-CD1 3.72Å; Y328-L367 HydrophobicContact CD2-CD1 4.31Å; Y328-L367 HydrophobicContact CE1-CD1 3.99Å; Y328-L367 HydrophobicContact CG-CD1 3.92Å
329	L	95.3	Very high	93.7	Very high	63 Å²	63	81 Å²	81	33%	0.33	39%	0.391	S	S	.	.	H	α-helix	trans	-67.4	-49.6	173.8	-174.8	60.9	0	0	0	111.5	V325 E326 Y327 N333 I334 R335	V325-L329 VanDerWaalsContact O-CB 3.32Å; V325-L329 WeakPolarHBondContact O-CB 3.43Å; V325-L329 PolarHBondContact O-N 3.28Å; E326-L329 PolarHBondContact O-N 2.91Å; Y327-L329 VanDerWaalsContact C-N 3.33Å; L329-N333 WeakPolarHBondContact O-CA 3.43Å; L329-N333 PolarHBondContact O-N 3.44Å; L329-I334 WeakPolarHBondContact CA-O 3.36Å; L329-I334 PolarHBondContact N-O 3.47Å; L329-R335 HydrophobicContact CD1-CG 3.91Å
330	T	93.1	Very high	94.3	Very high	117 Å²	117	83.7 Å²	83.7	72%	0.718	39%	0.388	S	S	*	.	H	α-helix	trans	-68.6	-41.6	-176.1	-54.3	0	0	0	0	112	E326 Y327	E326-T330 VanDerWaalsContact O-CB 3.25Å; E326-T330 WeakPolarHBondContact O-CB 3.19Å; E326-T330 PolarHBondContact O-N 3.39Å; E326-T330 PolarHBondContact O-OG1 3.46Å; Y327-T330 PolarHBondContact O-N 2.93Å
331	K	92.5	Very high	94.7	Very high	117 Å²	117	74.2 Å²	74.2	51%	0.509	35%	0.353	S	S	.	.	H	α-helix	trans	-87.4	-35.8	-171.2	-172.6	172.3	176.4	-179.7	0	113.8	Y327	Y327-K331 HydrophobicContact CE1-CD 4.18Å; Y327-K331 HydrophobicContact CE2-CD 3.67Å; Y327-K331 VanDerWaalsContact CZ-CD 3.47Å; Y327-K331 WeakPolarHBondContact O-CB 3.45Å; Y327-K331 PolarHBondContact O-N 3.46Å; Y327-K331 WeakPolarHBondContact OH-CD 3.42Å; Y327-K331 PolarHBondContact OH-NZ 3.02Å
332	Y	93.1	Very high	94.9	Very high	61 Å²	61	69.6 Å²	69.6	24%	0.239	33%	0.329	C	S	.	.	H	α-helix	trans	-123.3	-2.1	-173.5	-54.1	-74.5	0	0	0	113.1	Y295 Y327 Y328 I334	Y295-Y332 AromaticContact CD2-CD1 3.84Å; Y295-Y332 HydrophobicContact CD2-CD1 3.84Å; Y295-Y332 AromaticContact CD2-CD2 3.91Å; Y295-Y332 HydrophobicContact CD2-CD2 3.91Å; Y295-Y332 AromaticContact CD2-CE1 3.64Å; Y295-Y332 HydrophobicContact CD2-CE1 3.64Å; Y295-Y332 AromaticContact CD2-CE2 3.69Å; Y295-Y332 HydrophobicContact CD2-CE2 3.69Å; Y295-Y332 AromaticContact CD2-CG 3.96Å; Y295-Y332 HydrophobicContact CD2-CG 3.96Å; Y295-Y332 AromaticContact CD2-CZ 3.55Å; Y295-Y332 HydrophobicContact CE2-CD2 4.32Å; Y295-Y332 HydrophobicContact CE2-CE1 4.3Å; Y295-Y332 AromaticContact CE2-CE2 3.76Å; Y295-Y332 HydrophobicContact CE2-CE2 3.76Å; Y295-Y332 AromaticContact CE2-CZ 3.74Å; Y295-Y332 HydrophobicContact CG-CD1 4.37Å; Y295-Y332 HydrophobicContact CG-CD2 4.39Å; Y295-Y332 HydrophobicContact CG-CG 4.27Å; Y327-Y332 AromaticContact CE1-CE2 3.84Å; Y327-Y332 HydrophobicContact CE1-CE2 3.84Å; Y328-Y332 AromaticContact CD1-CD2 3.7Å; Y328-Y332 HydrophobicContact CD1-CD2 3.7Å; Y328-Y332 HydrophobicContact CD1-CE2 4.06Å; Y328-Y332 HydrophobicContact CE1-CD2 4.19Å; Y328-Y332 HydrophobicContact CE1-CE2 4.11Å; Y328-Y332 CarbonylContact O-C 3.48Å; Y328-Y332 PolarHBondContact O-N 3.19Å; Y328-Y332 VanDerWaalsContact O-N 3.1Å; Y332-I334 VanDerWaalsContact C-N 3.29Å; Y332-I334 PolarHBondContact O-N 3.49Å
333	N	95.2	Very high	94.9	Very high	133 Å²	133	67.8 Å²	67.8	71%	0.711	32%	0.32	S	S	*	.			trans	57.3	40	-175	-161.5	27.1	0	0	0	113.4	Y328 L329	Y328-N333 PolarHBondContact O-N 3.01Å; L329-N333 WeakPolarHBondContact O-CA 3.43Å; L329-N333 PolarHBondContact O-N 3.44Å
334	I	95.2	Very high	94.9	Very high	46 Å²	46	67.2 Å²	67.2	24%	0.236	32%	0.316	C	S	.	.			trans	-113.4	127.7	-178.4	-65.1	173	0	0	0	110	Y295 Y328 L329 Y332 L367	Y295-I334 VanDerWaalsContact CB-CD1 3.43Å; Y295-I334 HydrophobicContact CD1-CD1 4.24Å; Y295-I334 HydrophobicContact CG-CD1 4.16Å; Y328-I334 CarbonylContact C-O 3.42Å; Y328-I334 PolarHBondContact O-N 3.34Å; L329-I334 WeakPolarHBondContact CA-O 3.36Å; L329-I334 PolarHBondContact N-O 3.47Å; Y332-I334 VanDerWaalsContact C-N 3.29Å; Y332-I334 PolarHBondContact O-N 3.49Å; I334-L367 HydrophobicContact CG2-CD1 4.06Å; I334-L367 HydrophobicContact CG2-CD2 3.65Å
335	R	95.8	Very high	94.8	Very high	198 Å²	198	67.7 Å²	67.7	75%	0.747	32%	0.319	S	S	*	.			trans	-92.3	125.3	173.6	-64.9	179.1	-176.5	-112.9	1.4	109.8	L329	L329-R335 HydrophobicContact CD1-CG 3.91Å
336	I	96.4	Very high	94.5	Very high	10 Å²	10	66.4 Å²	66.4	5%	0.051	31%	0.311	C	S	.	.			trans	-81.1	131.1	172	-59	175.4	0	0	0	107.7	P311 V325 Y328 I364 L367	P311-I336 HydrophobicContact CB-CD1 4.03Å; P311-I336 HydrophobicContact CB-CG2 4.05Å; P311-I336 HydrophobicContact CG-CG2 3.99Å; V325-I336 HydrophobicContact CG2-CB 4.45Å; V325-I336 HydrophobicContact CG2-CD1 4.19Å; Y328-I336 HydrophobicContact CD2-CD1 3.95Å; I336-I364 HydrophobicContact CD1-CD1 3.94Å; I336-I364 HydrophobicContact CD1-CG1 3.81Å; I336-I364 HydrophobicContact CD1-CG2 4.19Å; I336-I364 HydrophobicContact CG1-CG2 4.46Å; I336-I364 HydrophobicContact CG2-CG2 4.14Å; I336-L367 HydrophobicContact CG1-CD1 4.43Å
337	R	95.4	Very high	94	Very high	202 Å²	202	66 Å²	66	76%	0.762	31%	0.308	S	S	*	.	S	Bend	trans	-90.1	-46.4	-175	-70.1	175.4	-70.8	170.5	2.8	112.2	E366	R337-E366 WeakPolarHBondContact CB-OE1 3.47Å; R337-E366 WeakPolarHBondContact CG-OE1 3.25Å; R337-E366 IonicContact CZ-OE1 2.83Å; R337-E366 VanDerWaalsContact CZ-OE1 3.29Å; R337-E366 PolarHBondContact N-OE1 2.7Å; R337-E366 PolarHBondContact N-OE2 2.84Å; R337-E366 IonicContact NE-OE1 3.28Å; R337-E366 PolarHBondContact NE-OE1 2.92Å; R337-E366 IonicContact NH2-OE1 2.74Å; R337-E366 PolarHBondContact NH2-OE1 3.34Å
338	D	94.9	Very high	92.5	Very high	43 Å²	43	67 Å²	67	23%	0.23	32%	0.316	C	S	.	.			trans	-96.3	113.2	-179.9	-170.7	-16.9	0	0	0	110.4	Y265 N340 Q341 E366	Y265-D338 HydrophobicContact CE2-CB 3.81Å; Y265-D338 WeakPolarHBondContact CE2-OD2 3.3Å; Y265-D338 VanDerWaalsContact CZ-OD2 3.26Å; Y265-D338 PolarHBondContact OH-OD2 2.91Å; D338-N340 PolarHBondContact OD1-N 2.86Å; D338-Q341 HydrophobicContact CB-CB 4.39Å; D338-Q341 WeakPolarHBondContact O-CG 3.49Å; D338-Q341 PolarHBondContact O-NE2 2.96Å; D338-Q341 PolarHBondContact OD1-N 3.28Å; D338-E366 PolarHBondContact N-OE2 3.23Å
339	H	95.7	Very high	90.5	Very high	69 Å²	69	75.2 Å²	75.2	32%	0.319	35%	0.347	S	S	.	.	S	Bend	trans	-86.8	-4	179.6	-65.2	154.9	0	0	0	114.6	T310 K312	T310-H339 WeakPolarHBondContact CB-O 3.45Å; K312-H339 HydrophobicContact CD-CB 4.31Å; K312-H339 HydrophobicContact CG-CB 4.26Å
340	N	93.3	Very high	88.1	Confident	127 Å²	127	78.2 Å²	78.2	68%	0.679	36%	0.364	S	S	*	.	S	Bend	trans	-107.7	-2.3	-179.3	-61.6	-28.1	0	0	0	112.5	D338	D338-N340 PolarHBondContact OD1-N 2.86Å
341	Q	94.3	Very high	85.8	Confident	3 Å²	3	75.4 Å²	75.4	1%	0.014	34%	0.341	C	S	.	.			trans	-61.9	144.7	176.9	71.1	-173	-73.1	0	0	111.2	Y265 P311 D338 I364 P365 E366	Y265-Q341 HydrophobicContact CD2-CB 4.03Å; Y265-Q341 HydrophobicContact CE2-CB 3.99Å; P311-Q341 WeakPolarHBondContact CD-O 3.45Å; P311-Q341 HydrophobicContact CG-CG 3.68Å; D338-Q341 HydrophobicContact CB-CB 4.39Å; D338-Q341 WeakPolarHBondContact O-CG 3.49Å; D338-Q341 PolarHBondContact O-NE2 2.96Å; D338-Q341 PolarHBondContact OD1-N 3.28Å; Q341-I364 HydrophobicContact CG-CG2 4.47Å; Q341-P365 VanDerWaalsContact OE1-CD 3.26Å; Q341-E366 PolarHBondContact NE2-OE2 2.98Å; Q341-E366 VanDerWaalsContact NE2-OE2 3.16Å
342	P	94.7	Very high	83.4	Confident	22 Å²	22	71.7 Å²	71.7	14%	0.143	33%	0.333	C	S	.	.			trans	-69	171.5	175.1	31.5	-36.9	0	0	0	111.1	M268 V305 D306 F307 P365	M268-P342 HydrophobicContact CE-CG 3.97Å; M268-P342 HydrophobicContact SD-CG 3.71Å; V305-P342 HydrophobicContact CG1-CB 3.96Å; V305-P342 HydrophobicContact CG1-CG 4.13Å; D306-P342 WeakPolarHBondContact O-CA 3.42Å; D306-P342 VanDerWaalsContact O-CB 3.26Å; D306-P342 WeakPolarHBondContact O-CB 3.31Å; F307-P342 HydrophobicContact CD1-CB 3.83Å; F307-P342 HydrophobicContact CD1-CG 4.15Å; F307-P342 HydrophobicContact CE1-CB 4.27Å; F307-P342 HydrophobicContact CE1-CG 4.16Å; F307-P342 HydrophobicContact CG-CB 4.27Å; P342-P365 WeakPolarHBondContact O-CD 3.37Å; P342-P365 WeakPolarHBondContact O-CG 3.37Å
343	L	95.8	Very high	81	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	146.6	177.5	-59	-175.7	0	0	0	111.9	V305 D306 Q309 F324 V362 I364	V305-L343 CarbonylContact C-O 3.59Å; V305-L343 WeakPolarHBondContact CA-O 3.36Å; D306-L343 PolarHBondContact N-O 3.05Å; D306-L343 PolarHBondContact O-N 3.45Å; Q309-L343 HydrophobicContact CB-CD1 3.5Å; Q309-L343 VanDerWaalsContact CB-CD1 3.5Å; Q309-L343 HydrophobicContact CB-CG 4.06Å; F324-L343 HydrophobicContact CD2-CD1 3.88Å; F324-L343 HydrophobicContact CE2-CD1 3.38Å; F324-L343 HydrophobicContact CZ-CD1 3.93Å; L343-V362 HydrophobicContact CB-CG1 3.59Å; L343-V362 HydrophobicContact CD1-CG1 3.52Å; L343-V362 HydrophobicContact CG-CG1 4.08Å; L343-I364 HydrophobicContact CD2-CD1 3.43Å; L343-I364 VanDerWaalsContact CD2-CD1 3.43Å
344	L	95.1	Very high	78.5	Confident	0 Å²	0	79 Å²	79	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	131.5	175.3	-52	175.4	0	0	0	109.8	I264 M268 V286 I302 V305 V362 L363 P365 C368	I264-L344 HydrophobicContact CB-CD1 4.18Å; I264-L344 HydrophobicContact CG1-CD1 4.07Å; I264-L344 HydrophobicContact CG2-CD1 4Å; I264-L344 HydrophobicContact CG2-CD2 3.91Å; M268-L344 HydrophobicContact CE-CD2 3.5Å; M268-L344 VanDerWaalsContact CE-CD2 3.5Å; V286-L344 HydrophobicContact CG1-CD2 4.15Å; I302-L344 HydrophobicContact CD1-CD1 3.8Å; I302-L344 HydrophobicContact CD1-CD2 4.21Å; I302-L344 HydrophobicContact CD1-CG 4.48Å; I302-L344 HydrophobicContact CG1-CD1 4.32Å; I302-L344 HydrophobicContact CG2-CB 4.41Å; I302-L344 HydrophobicContact CG2-CD2 4.34Å; V305-L344 HydrophobicContact CG1-CD2 4.47Å; V305-L344 HydrophobicContact CG2-CD2 3.98Å; L344-V362 CarbonylContact O-C 3.49Å; L344-V362 WeakPolarHBondContact O-CA 3.31Å; L344-L363 HydrophobicContact CB-CB 4.16Å; L344-L363 PolarHBondContact N-O 3.37Å; L344-L363 PolarHBondContact O-N 2.75Å; L344-P365 HydrophobicContact CD1-CG 4.44Å; L344-P365 HydrophobicContact CD2-CG 4.14Å; L344-P365 HydrophobicContact CG-CG 3.98Å; L344-C368 HydrophobicContact CD1-CB 4.06Å
345	I	93.1	Very high	76	Confident	19 Å²	19	81.2 Å²	81.2	10%	0.097	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123.9	176	-58.9	-177.9	0	0	0	109.2	N303 D304 D306 K347 L360	N303-I345 PolarHBondContact N-O 2.77Å; D304-I345 HydrophobicContact CB-CB 3.97Å; D304-I345 HydrophobicContact CB-CD1 4.3Å; D304-I345 HydrophobicContact CB-CG1 4.49Å; D304-I345 PolarHBondContact N-O 2.97Å; D304-I345 VanDerWaalsContact N-O 3.14Å; D304-I345 PolarHBondContact O-N 2.79Å; D306-I345 HydrophobicContact CB-CD1 3.88Å; D306-I345 HydrophobicContact CB-CG1 4.21Å; I345-K347 HydrophobicContact CG2-CG 4.21Å; I345-L360 HydrophobicContact CG2-CD1 3.79Å; I345-L360 HydrophobicContact CG2-CD2 4.05Å; I345-L360 HydrophobicContact CG2-CG 3.77Å
346	S	90.5	Very high	73.5	Confident	9 Å²	9	79.9 Å²	79.9	6%	0.063	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124.5	169.2	-169.1	0	0	0	0	110.2	R301 V361	R301-S346 VanDerWaalsContact O-CB 3.31Å; R301-S346 WeakPolarHBondContact O-CB 3.39Å; R301-S346 PolarHBondContact O-OG 2.84Å; S346-V361 PolarHBondContact N-O 3.46Å; S346-V361 PolarHBondContact O-N 3.35Å
347	K	83.8	Confident	71	Confident	97 Å²	97	81.8 Å²	81.8	42%	0.422	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115.9	176.7	-66	179.4	-179.8	174.9	0	108.1	N303 I345 R349 L360	N303-K347 HydrophobicContact CB-CB 4.5Å; N303-K347 PolarHBondContact OD1-N 2.91Å; N303-K347 PolarHBondContact OD1-O 3.17Å; I345-K347 HydrophobicContact CG2-CG 4.21Å; K347-R349 PolarHBondContact O-N 3.49Å; K347-L360 HydrophobicContact CG-CD1 4.46Å
348	N	63.5	Low	68.9	Low	64 Å²	64	76 Å²	76	34%	0.342	39%	0.393	S	S	.	.			trans	-77.5	87.9	175.9	-166.1	-24	0	0	0	110.3	D350 K351 A352	N348-D350 VanDerWaalsContact C-N 3.27Å; N348-D350 PolarHBondContact O-N 3.26Å; N348-D350 PolarHBondContact OD1-N 2.69Å; N348-K351 HydrophobicContact CB-CB 4.32Å; N348-K351 PolarHBondContact O-N 2.85Å; N348-K351 PolarHBondContact OD1-N 3.02Å; N348-A352 WeakPolarHBondContact O-CB 3.18Å; N348-A352 PolarHBondContact O-N 2.91Å
349	R	53.7	Low	67.5	Low	179 Å²	179	78.9 Å²	78.9	68%	0.675	41%	0.406	S	S	*	.	H	α-helix	trans	-58.4	-35.6	-179.2	-79.4	-172.6	167	-166.9	-3.6	113.3	K347 K351 A352 Q353	K347-R349 PolarHBondContact O-N 3.49Å; R349-K351 VanDerWaalsContact C-N 3.33Å; R349-K351 PolarHBondContact O-N 2.69Å; R349-A352 PolarHBondContact O-N 3.18Å; R349-Q353 PolarHBondContact O-N 3.45Å
350	D	46	Very low	66.7	Low	127 Å²	127	79.6 Å²	79.6	68%	0.679	41%	0.411	S	S	*	.	H	α-helix	trans	-72	-27.3	-176.4	-62.7	-24	0	0	0	112.8	N348	N348-D350 VanDerWaalsContact C-N 3.27Å; N348-D350 PolarHBondContact O-N 3.26Å; N348-D350 PolarHBondContact OD1-N 2.69Å
351	K	43.1	Very low	66.5	Low	57 Å²	57	75.6 Å²	75.6	25%	0.248	39%	0.391	C	S	.	.	H	α-helix	trans	-86.1	-35	171.1	-76.6	-170.6	-176.2	-168.6	0	113	W72 N348 R349 Q353 K354 T355 E359	W72-K351 VanDerWaalsContact CH2-CE 3.43Å; W72-K351 HydrophobicContact CZ2-CD 4.43Å; N348-K351 HydrophobicContact CB-CB 4.32Å; N348-K351 PolarHBondContact O-N 2.85Å; N348-K351 PolarHBondContact OD1-N 3.02Å; R349-K351 VanDerWaalsContact C-N 3.33Å; R349-K351 PolarHBondContact O-N 2.69Å; K351-Q353 PolarHBondContact O-N 3.09Å; K351-K354 PolarHBondContact O-N 3.48Å; K351-T355 PolarHBondContact O-N 3.03Å; K351-T355 VanDerWaalsContact O-N 3.14Å; K351-T355 PolarHBondContact O-OG1 3.25Å; K351-E359 WeakPolarHBondContact CD-OE2 3.18Å; K351-E359 IonicContact NZ-OE2 3.92Å; K351-E359 PolarHBondContact NZ-OE2 2.83Å
352	A	42.4	Very low	66.5	Low	40 Å²	40	76.9 Å²	76.9	33%	0.331	40%	0.399	S	S	.	.	H	α-helix	trans	-59.3	-33.1	-178.5	0	0	0	0	0	112.6	N348 R349 K354	N348-A352 WeakPolarHBondContact O-CB 3.18Å; N348-A352 PolarHBondContact O-N 2.91Å; R349-A352 PolarHBondContact O-N 3.18Å; A352-K354 VanDerWaalsContact C-N 3.27Å; A352-K354 PolarHBondContact O-N 2.96Å
353	Q	43	Very low	66.5	Low	175 Å²	175	76 Å²	76	82%	0.818	39%	0.393	S	S	*	.	H	α-helix	trans	-70	-16.5	172.8	-91.8	178.6	-23.1	0	0	114.7	R349 K351	R349-Q353 PolarHBondContact O-N 3.45Å; K351-Q353 PolarHBondContact O-N 3.09Å
354	K	42.3	Very low	66.6	Low	173 Å²	173	76 Å²	76	75%	0.752	39%	0.393	S	S	*	.	H	α-helix	trans	-110.3	-22.8	-171.2	-71.3	-176.9	178	180	0	114.7	K351 A352	K351-K354 PolarHBondContact O-N 3.48Å; A352-K354 VanDerWaalsContact C-N 3.27Å; A352-K354 PolarHBondContact O-N 2.96Å
355	T	43.6	Very low	66.6	Low	91 Å²	91	76 Å²	76	56%	0.558	39%	0.393	S	S	*	.	H	α-helix	trans	-123.8	4.6	-171.1	40.2	0	0	0	0	116.3	K351 A357	K351-T355 PolarHBondContact O-N 3.03Å; K351-T355 VanDerWaalsContact O-N 3.14Å; K351-T355 PolarHBondContact O-OG1 3.25Å; T355-A357 PolarHBondContact O-N 2.89Å
356	N	42.6	Very low	66.7	Low	170 Å²	170	75.8 Å²	75.8	91%	0.909	39%	0.392	S	S	*	.	S	Bend	trans	51.8	-3.7	-172.9	-83.2	-5.7	0	0	0	116
357	A	45.2	Very low	66.9	Low	51 Å²	51	76.4 Å²	76.4	42%	0.421	39%	0.394	S	S	.	.			trans	-97.5	113	169.8	0	0	0	0	0	108.6	T355 E359	T355-A357 PolarHBondContact O-N 2.89Å; A357-E359 VanDerWaalsContact C-N 3.25Å; A357-E359 PolarHBondContact O-N 3.38Å
358	S	50.6	Low	67.4	Low	80 Å²	80	71.8 Å²	71.8	56%	0.559	37%	0.374	S	S	*	.			trans	-68.2	87.4	162	172	0	0	0	0	107.9	L360	S358-L360 PolarHBondContact O-N 3.33Å
359	E	64.7	Low	68.7	Low	104 Å²	104	69.8 Å²	69.8	49%	0.486	36%	0.362	S	S	.	.			trans	-63.5	89.2	166.4	-86.1	-172.3	160.7	0	0	107.8	K351 A357	K351-E359 WeakPolarHBondContact CD-OE2 3.18Å; K351-E359 IonicContact NZ-OE2 3.92Å; K351-E359 PolarHBondContact NZ-OE2 2.83Å; A357-E359 VanDerWaalsContact C-N 3.25Å; A357-E359 PolarHBondContact O-N 3.38Å
360	L	79.3	Confident	70.4	Confident	83 Å²	83	61.2 Å²	61.2	44%	0.435	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	117.4	171.6	-170.9	141.1	0	0	0	107.3	I345 K347 S358 V362	I345-L360 HydrophobicContact CG2-CD1 3.79Å; I345-L360 HydrophobicContact CG2-CD2 4.05Å; I345-L360 HydrophobicContact CG2-CG 3.77Å; K347-L360 HydrophobicContact CG-CD1 4.46Å; S358-L360 PolarHBondContact O-N 3.33Å; L360-V362 HydrophobicContact CD2-CG2 3.44Å; L360-V362 VanDerWaalsContact CD2-CG2 3.44Å
361	V	89.4	Confident	72.3	Confident	44 Å²	44	56 Å²	56	27%	0.267	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.1	178.1	-177.3	0	0	0	0	108.1	Y300 S346 L363	Y300-V361 HydrophobicContact CD1-CG1 4.19Å; Y300-V361 HydrophobicContact CE1-CB 4.42Å; Y300-V361 HydrophobicContact CE1-CG1 3.86Å; Y300-V361 HydrophobicContact CE1-CG2 4.33Å; S346-V361 PolarHBondContact N-O 3.46Å; S346-V361 PolarHBondContact O-N 3.35Å; V361-L363 HydrophobicContact CG1-CD2 3.62Å; V361-L363 HydrophobicContact CG1-CG 4.11Å
362	V	93.3	Very high	74.1	Confident	29 Å²	29	54.6 Å²	54.6	18%	0.176	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.3	177.8	-170	0	0	0	0	109.1	F324 L343 L344 L360	F324-V362 HydrophobicContact CE1-CB 3.88Å; F324-V362 HydrophobicContact CE1-CG1 4.01Å; F324-V362 HydrophobicContact CE2-CG1 4.39Å; F324-V362 HydrophobicContact CZ-CB 3.8Å; F324-V362 HydrophobicContact CZ-CG1 3.65Å; F324-V362 HydrophobicContact CZ-CG2 4.39Å; L343-V362 HydrophobicContact CB-CG1 3.59Å; L343-V362 HydrophobicContact CD1-CG1 3.52Å; L343-V362 HydrophobicContact CG-CG1 4.08Å; L344-V362 CarbonylContact O-C 3.49Å; L344-V362 WeakPolarHBondContact O-CA 3.31Å; L360-V362 HydrophobicContact CD2-CG2 3.44Å; L360-V362 VanDerWaalsContact CD2-CG2 3.44Å
363	L	95.6	Very high	75.9	Confident	3 Å²	3	54 Å²	54	2%	0.016	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	153.9	-174.2	-49.6	168	0	0	0	111.3	V291 T293 Y300 L344 V361	V291-L363 HydrophobicContact CG2-CD1 4.25Å; T293-L363 HydrophobicContact CG2-CD2 4.28Å; Y300-L363 HydrophobicContact CD1-CD1 4.34Å; Y300-L363 HydrophobicContact CD2-CD1 3.61Å; Y300-L363 HydrophobicContact CD2-CD2 4.12Å; Y300-L363 HydrophobicContact CE2-CD1 4.39Å; Y300-L363 HydrophobicContact CE2-CD2 4.07Å; Y300-L363 HydrophobicContact CG-CD1 3.58Å; Y300-L363 HydrophobicContact CG-CD2 4.47Å; L344-L363 HydrophobicContact CB-CB 4.16Å; L344-L363 PolarHBondContact N-O 3.37Å; L344-L363 PolarHBondContact O-N 2.75Å; V361-L363 HydrophobicContact CG1-CD2 3.62Å; V361-L363 HydrophobicContact CG1-CG 4.11Å
364	I	96.9	Very high	77.5	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	27%	0.27	C	S	.	.			trans	-93.4	122.4	178.7	-53.2	-67.2	0	0	0	108.9	P311 F324 Y328 I336 Q341 L343 E366 L367 C368	P311-I364 HydrophobicContact CB-CD1 4.16Å; P311-I364 HydrophobicContact CG-CD1 3.99Å; F324-I364 HydrophobicContact CB-CD1 3.9Å; F324-I364 HydrophobicContact CG-CD1 4.21Å; Y328-I364 HydrophobicContact CD2-CG1 3.93Å; Y328-I364 HydrophobicContact CE2-CD1 4.31Å; Y328-I364 HydrophobicContact CE2-CG1 3.46Å; Y328-I364 VanDerWaalsContact CE2-CG1 3.46Å; I336-I364 HydrophobicContact CD1-CD1 3.94Å; I336-I364 HydrophobicContact CD1-CG1 3.81Å; I336-I364 HydrophobicContact CD1-CG2 4.19Å; I336-I364 HydrophobicContact CG1-CG2 4.46Å; I336-I364 HydrophobicContact CG2-CG2 4.14Å; Q341-I364 HydrophobicContact CG-CG2 4.47Å; L343-I364 HydrophobicContact CD2-CD1 3.43Å; L343-I364 VanDerWaalsContact CD2-CD1 3.43Å; I364-E366 HydrophobicContact CG2-CB 4.11Å; I364-E366 PolarHBondContact O-N 2.81Å; I364-L367 HydrophobicContact CB-CB 4.39Å; I364-L367 HydrophobicContact CB-CD1 4.17Å; I364-L367 HydrophobicContact CB-CG 4.07Å; I364-L367 HydrophobicContact CG1-CD1 4.43Å; I364-L367 HydrophobicContact CG2-CG 4.17Å; I364-L367 PolarHBondContact O-N 3.46Å; I364-C368 PolarHBondContact O-SG 2.92Å
365	P	95.5	Very high	78.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-50.4	-40.9	179.2	-30.2	33.8	0	0	0	114.7	I264 Y265 M268 Q341 P342 L344 L367 C368	I264-P365 HydrophobicContact CB-CB 4.19Å; I264-P365 HydrophobicContact CG2-CB 4.02Å; Y265-P365 PolarHBondContact N-O 3.47Å; M268-P365 HydrophobicContact CE-CG 4.12Å; M268-P365 HydrophobicContact SD-CB 3.88Å; M268-P365 HydrophobicContact SD-CG 3.79Å; Q341-P365 VanDerWaalsContact OE1-CD 3.26Å; P342-P365 WeakPolarHBondContact O-CD 3.37Å; P342-P365 WeakPolarHBondContact O-CG 3.37Å; L344-P365 HydrophobicContact CD1-CG 4.44Å; L344-P365 HydrophobicContact CD2-CG 4.14Å; L344-P365 HydrophobicContact CG-CG 3.98Å; P365-L367 PolarHBondContact O-N 2.77Å; P365-C368 PolarHBondContact O-N 3.47Å
366	E	95.5	Very high	80.2	Confident	15 Å²	15	46.5 Å²	46.5	7%	0.07	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-61	-28	179.4	-173.4	-174.5	162.5	0	0	113	R337 D338 Q341 I364	R337-E366 WeakPolarHBondContact CB-OE1 3.47Å; R337-E366 WeakPolarHBondContact CG-OE1 3.25Å; R337-E366 IonicContact CZ-OE1 2.83Å; R337-E366 VanDerWaalsContact CZ-OE1 3.29Å; R337-E366 PolarHBondContact N-OE1 2.7Å; R337-E366 PolarHBondContact N-OE2 2.84Å; R337-E366 IonicContact NE-OE1 3.28Å; R337-E366 PolarHBondContact NE-OE1 2.92Å; R337-E366 IonicContact NH2-OE1 2.74Å; R337-E366 PolarHBondContact NH2-OE1 3.34Å; D338-E366 PolarHBondContact N-OE2 3.23Å; Q341-E366 PolarHBondContact NE2-OE2 2.98Å; Q341-E366 VanDerWaalsContact NE2-OE2 3.16Å; I364-E366 HydrophobicContact CG2-CB 4.11Å; I364-E366 PolarHBondContact O-N 2.81Å
367	L	94.8	Very high	82	Confident	21 Å²	21	39.8 Å²	39.8	11%	0.11	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-100.1	10.4	-176.9	-51.1	-175.4	0	0	0	112.8	Y295 Y328 I334 I336 I364 P365	Y295-L367 HydrophobicContact CD1-CB 4.22Å; Y295-L367 HydrophobicContact CD1-CD1 4.39Å; Y295-L367 HydrophobicContact CE1-CB 3.93Å; Y295-L367 HydrophobicContact CE1-CD1 4.23Å; Y328-L367 HydrophobicContact CD1-CD1 3.72Å; Y328-L367 HydrophobicContact CD2-CD1 4.31Å; Y328-L367 HydrophobicContact CE1-CD1 3.99Å; Y328-L367 HydrophobicContact CG-CD1 3.92Å; I334-L367 HydrophobicContact CG2-CD1 4.06Å; I334-L367 HydrophobicContact CG2-CD2 3.65Å; I336-L367 HydrophobicContact CG1-CD1 4.43Å; I364-L367 HydrophobicContact CB-CB 4.39Å; I364-L367 HydrophobicContact CB-CD1 4.17Å; I364-L367 HydrophobicContact CB-CG 4.07Å; I364-L367 HydrophobicContact CG1-CD1 4.43Å; I364-L367 HydrophobicContact CG2-CG 4.17Å; I364-L367 PolarHBondContact O-N 3.46Å; P365-L367 PolarHBondContact O-N 2.77Å
368	C	93.7	Very high	83.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	114	-174.5	-69.1	0	0	0	0	111.2	T263 I264 V291 L344 I364 P365	T263-C368 CarbonylContact C-O 3.59Å; T263-C368 VanDerWaalsContact CA-O 3.29Å; T263-C368 WeakPolarHBondContact CA-O 3.27Å; I264-C368 HydrophobicContact CB-CB 4.48Å; I264-C368 HydrophobicContact CG1-CB 4.06Å; I264-C368 PolarHBondContact N-O 3.41Å; V291-C368 HydrophobicContact CB-CB 3.97Å; V291-C368 HydrophobicContact CG1-CB 4.18Å; V291-C368 HydrophobicContact CG2-CB 4.13Å; L344-C368 HydrophobicContact CD1-CB 4.06Å; I364-C368 PolarHBondContact O-SG 2.92Å; P365-C368 PolarHBondContact O-N 3.47Å
369	R	90.8	Very high	84.7	Confident	22 Å²	22	45.1 Å²	45.1	8%	0.083	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	138.4	174.8	-70.1	179.7	64.9	173.6	-0	111.6	E232 M259 R260 T263 V291 L292 D294	E232-R369 IonicContact OE1-CZ 3.57Å; E232-R369 IonicContact OE1-NH1 3.79Å; E232-R369 PolarHBondContact OE1-NH1 3.42Å; E232-R369 IonicContact OE1-NH2 2.66Å; E232-R369 PolarHBondContact OE1-NH2 3.44Å; E232-R369 IonicContact OE2-CZ 2.62Å; E232-R369 IonicContact OE2-NH1 3.52Å; E232-R369 PolarHBondContact OE2-NH1 3.15Å; E232-R369 IonicContact OE2-NH2 2.85Å; E232-R369 PolarHBondContact OE2-NH2 3.05Å; M259-R369 HydrophobicContact CE-CB 4.17Å; R260-R369 VanDerWaalsContact O-CZ 3.32Å; R260-R369 PolarHBondContact O-NE 3.01Å; R260-R369 PolarHBondContact O-NH2 3.18Å; T263-R369 HydrophobicContact CG2-CG 4.43Å; V291-R369 CarbonylContact C-O 3.46Å; V291-R369 WeakPolarHBondContact CA-O 3.48Å; L292-R369 PolarHBondContact N-O 2.71Å; L292-R369 PolarHBondContact O-N 3.16Å; D294-R369 WeakPolarHBondContact OD1-CD 3.42Å; D294-R369 WeakPolarHBondContact OD2-CD 3.2Å
370	V	89.2	Confident	85.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	135.7	178.8	-179.1	0	0	0	0	110.9	R260 E262 I264 I267 L289	R260-V370 HydrophobicContact CB-CB 4.38Å; R260-V370 WeakPolarHBondContact CB-O 3.21Å; R260-V370 HydrophobicContact CG-CB 4.38Å; R260-V370 PolarHBondContact N-O 2.92Å; E262-V370 PolarHBondContact O-N 2.9Å; I264-V370 HydrophobicContact CD1-CG2 3.38Å; I264-V370 HydrophobicContact CG1-CG2 4.17Å; I267-V370 HydrophobicContact CD1-CG2 3.56Å; L289-V370 HydrophobicContact CD1-CG1 4.08Å; L289-V370 HydrophobicContact CD1-CG2 4.06Å; L289-V370 HydrophobicContact CD2-CG1 4.49Å
371	T	85.9	Confident	85.6	Confident	16 Å²	16	47.5 Å²	47.5	10%	0.098	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	149.9	174.6	73.7	0	0	0	0	111.8	M259 I290 L292	M259-T371 HydrophobicContact CE-CG2 3.85Å; M259-T371 HydrophobicContact SD-CG2 3.68Å; I290-T371 WeakPolarHBondContact O-CB 3.43Å; I290-T371 PolarHBondContact O-N 2.94Å; I290-T371 PolarHBondContact O-OG1 3.16Å; L292-T371 HydrophobicContact CB-CG2 3.87Å
372	G	82.1	Confident	85.4	Confident	28 Å²	28	52 Å²	52	29%	0.289	27%	0.271	S	S	.	.	S	Bend	trans	72.8	-176.4	176.2	0	0	0	0	0	115.1	V258 R260	V258-G372 PolarHBondContact O-N 2.77Å; R260-G372 PolarHBondContact NE-O 3.03Å; R260-G372 PolarHBondContact NH2-O 3.38Å
373	L	80.4	Confident	85	Confident	27 Å²	27	50.8 Å²	50.8	14%	0.141	26%	0.264	C	S	.	.			trans	-109.8	135.9	-173.1	-57.8	171.5	0	0	0	111.2	M231 V258 M377 R378 M384 M387	M231-L373 HydrophobicContact CE-CD2 4.41Å; M231-L373 HydrophobicContact SD-CD2 3.64Å; V258-L373 HydrophobicContact CG1-CD2 3.86Å; V258-L373 HydrophobicContact CG1-CG 4.3Å; L373-M377 HydrophobicContact CB-CB 4.31Å; L373-M377 HydrophobicContact CD2-CB 4.25Å; L373-M377 HydrophobicContact CD2-CE 3.65Å; L373-M377 HydrophobicContact CD2-SD 4.45Å; L373-R378 HydrophobicContact CB-CG 3.86Å; L373-R378 HydrophobicContact CD1-CG 4.32Å; L373-R378 PolarHBondContact O-NE 2.86Å; L373-R378 VanDerWaalsContact O-NE 3.17Å; L373-R378 PolarHBondContact O-NH2 2.93Å; L373-M384 HydrophobicContact CD1-SD 3.88Å; L373-M387 HydrophobicContact CD1-CE 3.37Å; L373-M387 HydrophobicContact CD1-SD 4.03Å; L373-M387 HydrophobicContact CD2-CE 3.8Å; L373-M387 HydrophobicContact CD2-SD 3.95Å; L373-M387 HydrophobicContact CG-CE 4.21Å
374	N	76.6	Confident	84.6	Confident	55 Å²	55	53.7 Å²	53.7	29%	0.294	28%	0.278	S	S	.	.			trans	-79.8	176.4	170.2	72.7	7.7	0	0	0	110.5	E376 M377 R378	N374-E376 PolarHBondContact OD1-N 2.9Å; N374-M377 HydrophobicContact CB-SD 4.34Å; N374-M377 PolarHBondContact O-N 3.06Å; N374-M377 WeakPolarHBondContact OD1-CB 3.32Å; N374-M377 WeakPolarHBondContact OD1-CG 3.25Å; N374-M377 PolarHBondContact OD1-N 2.86Å; N374-M377 PolarHBondContact OD1-SD 3.32Å; N374-R378 VanDerWaalsContact O-CG 3.3Å; N374-R378 WeakPolarHBondContact O-CG 3.42Å; N374-R378 PolarHBondContact O-N 2.74Å; N374-R378 VanDerWaalsContact O-N 3.12Å
375	A	69.1	Low	84	Confident	81 Å²	81	63.2 Å²	63.2	67%	0.669	31%	0.314	S	S	*	.	H	α-helix	trans	-63.7	-41.7	-176.9	0	0	0	0	0	112.8	R378 S379	A375-R378 PolarHBondContact O-N 3.36Å; A375-S379 PolarHBondContact O-N 3.49Å; A375-S379 PolarHBondContact O-OG 2.99Å
376	E	73.6	Confident	83.5	Confident	146 Å²	146	64.4 Å²	64.4	68%	0.682	32%	0.324	S	S	*	.	H	α-helix	trans	-64.5	-41	178.8	-63.6	172.7	173	0	0	112.5	N374 R378 S379 N380	N374-E376 PolarHBondContact OD1-N 2.9Å; E376-R378 VanDerWaalsContact C-N 3.3Å; E376-R378 PolarHBondContact O-N 2.8Å; E376-S379 WeakPolarHBondContact CA-OG 3.3Å; E376-S379 PolarHBondContact O-N 2.93Å; E376-S379 PolarHBondContact O-OG 3.33Å; E376-N380 PolarHBondContact O-N 3.46Å
377	M	79.5	Confident	83	Confident	30 Å²	30	64 Å²	64	15%	0.148	32%	0.322	C	S	.	.	H	α-helix	trans	-64.7	-37.6	174.8	-70.3	162.3	88.9	0	0	111.2	M231 R260 L373 N374 S379 N380 L383	M231-M377 HydrophobicContact CE-CE 3.06Å; M231-M377 HydrophobicContact CG-CE 4.41Å; M231-M377 HydrophobicContact SD-CE 3.53Å; M231-M377 VanDerWaalsContact SD-CE 3.53Å; R260-M377 HydrophobicContact CG-CE 4.14Å; L373-M377 HydrophobicContact CB-CB 4.31Å; L373-M377 HydrophobicContact CD2-CB 4.25Å; L373-M377 HydrophobicContact CD2-CE 3.65Å; L373-M377 HydrophobicContact CD2-SD 4.45Å; N374-M377 HydrophobicContact CB-SD 4.34Å; N374-M377 PolarHBondContact O-N 3.06Å; N374-M377 WeakPolarHBondContact OD1-CB 3.32Å; N374-M377 WeakPolarHBondContact OD1-CG 3.25Å; N374-M377 PolarHBondContact OD1-N 2.86Å; N374-M377 PolarHBondContact OD1-SD 3.32Å; M377-S379 VanDerWaalsContact C-N 3.32Å; M377-N380 PolarHBondContact O-N 3.3Å; M377-L383 HydrophobicContact CB-CD2 3.63Å; M377-L383 HydrophobicContact CE-CD2 4.39Å; M377-L383 HydrophobicContact CG-CD2 4.04Å; M377-L383 WeakPolarHBondContact O-CD2 3.23Å
378	R	77.9	Confident	82.3	Confident	164 Å²	164	63.9 Å²	63.9	62%	0.619	32%	0.323	S	S	*	.	H	α-helix	trans	-69.6	-29.3	176.7	-69.9	175	-162.3	-179.6	5.1	112.7	L373 N374 A375 E376 M384	L373-R378 HydrophobicContact CB-CG 3.86Å; L373-R378 HydrophobicContact CD1-CG 4.32Å; L373-R378 PolarHBondContact O-NE 2.86Å; L373-R378 VanDerWaalsContact O-NE 3.17Å; L373-R378 PolarHBondContact O-NH2 2.93Å; N374-R378 VanDerWaalsContact O-CG 3.3Å; N374-R378 WeakPolarHBondContact O-CG 3.42Å; N374-R378 PolarHBondContact O-N 2.74Å; N374-R378 VanDerWaalsContact O-N 3.12Å; A375-R378 PolarHBondContact O-N 3.36Å; E376-R378 VanDerWaalsContact C-N 3.3Å; E376-R378 PolarHBondContact O-N 2.8Å; R378-M384 WeakPolarHBondContact O-CG 3.42Å
379	S	74.3	Confident	81.5	Confident	79 Å²	79	67.7 Å²	67.7	55%	0.552	35%	0.35	S	S	*	.	H	α-helix	trans	-81.7	-17.4	174.8	61.9	0	0	0	0	113	A375 E376 M377 F381	A375-S379 PolarHBondContact O-N 3.49Å; A375-S379 PolarHBondContact O-OG 2.99Å; E376-S379 WeakPolarHBondContact CA-OG 3.3Å; E376-S379 PolarHBondContact O-N 2.93Å; E376-S379 PolarHBondContact O-OG 3.33Å; M377-S379 VanDerWaalsContact C-N 3.32Å; S379-F381 WeakPolarHBondContact O-CD2 3.2Å; S379-F381 PolarHBondContact O-N 2.85Å
380	N	81.8	Confident	80.9	Confident	61 Å²	61	71.5 Å²	71.5	33%	0.326	37%	0.365	S	S	.	.			trans	-70.5	101.7	172.3	-173.4	-32.3	0	0	0	111.3	E376 M377 Q382 L383 M384	E376-N380 PolarHBondContact O-N 3.46Å; M377-N380 PolarHBondContact O-N 3.3Å; N380-Q382 VanDerWaalsContact C-N 3.32Å; N380-Q382 PolarHBondContact O-N 3.29Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.47Å; N380-Q382 PolarHBondContact OD1-N 2.94Å; N380-L383 HydrophobicContact CB-CB 4.04Å; N380-L383 PolarHBondContact O-N 3.18Å; N380-L383 PolarHBondContact OD1-N 3.32Å; N380-L383 VanDerWaalsContact OD1-N 3.1Å; N380-M384 WeakPolarHBondContact O-CG 2.94Å; N380-M384 PolarHBondContact O-N 2.85Å
381	F	82	Confident	80.5	Confident	175 Å²	175	73.8 Å²	73.8	77%	0.768	38%	0.379	S	S	*	.	H	α-helix	trans	-62.3	-33.5	-179	-74.6	-82.6	0	0	0	114	S379 R385	S379-F381 WeakPolarHBondContact O-CD2 3.2Å; S379-F381 PolarHBondContact O-N 2.85Å; F381-R385 WeakPolarHBondContact O-CB 3.45Å; F381-R385 PolarHBondContact O-N 3Å
382	Q	85.7	Confident	80.4	Confident	140 Å²	140	79.5 Å²	79.5	65%	0.654	40%	0.398	S	S	*	.	H	α-helix	trans	-68.5	-47.2	-179.9	-65.7	175.9	-16.1	0	0	110.2	F229 N380 R385 A386	F229-Q382 HydrophobicContact CE1-CB 4.34Å; F229-Q382 HydrophobicContact CZ-CB 3.86Å; N380-Q382 VanDerWaalsContact C-N 3.32Å; N380-Q382 PolarHBondContact O-N 3.29Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.47Å; N380-Q382 PolarHBondContact OD1-N 2.94Å; Q382-R385 PolarHBondContact O-N 3.18Å; Q382-A386 WeakPolarHBondContact O-CB 3.36Å; Q382-A386 PolarHBondContact O-N 3.32Å
383	L	85.3	Confident	80.6	Confident	3 Å²	3	78.3 Å²	78.3	2%	0.016	39%	0.385	C	S	.	.	H	α-helix	trans	-59.2	-50.4	174.4	167.3	58.4	0	0	0	111.7	F229 M231 M377 N380 R385 A386 M387	F229-L383 HydrophobicContact CB-CD1 3.74Å; F229-L383 HydrophobicContact CD1-CB 3.84Å; F229-L383 HydrophobicContact CD1-CD1 4.22Å; F229-L383 HydrophobicContact CD1-CG 4.48Å; F229-L383 HydrophobicContact CD2-CB 4.49Å; F229-L383 HydrophobicContact CD2-CD1 4.02Å; F229-L383 HydrophobicContact CE1-CB 3.88Å; F229-L383 HydrophobicContact CG-CB 4.17Å; F229-L383 HydrophobicContact CG-CD1 3.73Å; F229-L383 HydrophobicContact CG-CG 4.47Å; F229-L383 HydrophobicContact CZ-CB 4.25Å; M231-L383 HydrophobicContact CE-CD1 3.33Å; M231-L383 HydrophobicContact CE-CD2 3.45Å; M231-L383 VanDerWaalsContact CE-CD2 3.45Å; M231-L383 HydrophobicContact CE-CG 4.02Å; M231-L383 HydrophobicContact SD-CD1 3.86Å; M231-L383 HydrophobicContact SD-CD2 4.44Å; M377-L383 HydrophobicContact CB-CD2 3.63Å; M377-L383 HydrophobicContact CE-CD2 4.39Å; M377-L383 HydrophobicContact CG-CD2 4.04Å; M377-L383 WeakPolarHBondContact O-CD2 3.23Å; N380-L383 HydrophobicContact CB-CB 4.04Å; N380-L383 PolarHBondContact O-N 3.18Å; N380-L383 PolarHBondContact OD1-N 3.32Å; N380-L383 VanDerWaalsContact OD1-N 3.1Å; L383-R385 VanDerWaalsContact C-N 3.26Å; L383-R385 PolarHBondContact O-N 3.35Å; L383-A386 PolarHBondContact O-N 3.48Å; L383-M387 HydrophobicContact CD1-CE 3.6Å; L383-M387 HydrophobicContact CD1-CG 4.02Å; L383-M387 HydrophobicContact CD1-SD 4.01Å; L383-M387 HydrophobicContact CD2-CE 4.22Å; L383-M387 HydrophobicContact CG-CE 3.56Å; L383-M387 PolarHBondContact O-N 2.88Å
384	M	85.7	Confident	80.9	Confident	64 Å²	64	81 Å²	81	32%	0.315	40%	0.4	S	S	.	.	H	α-helix	trans	-62.3	-34.7	178.9	-71.3	-56.3	-56.1	0	0	111.9	L373 R378 N380 M387 S388	L373-M384 HydrophobicContact CD1-SD 3.88Å; R378-M384 WeakPolarHBondContact O-CG 3.42Å; N380-M384 WeakPolarHBondContact O-CG 2.94Å; N380-M384 PolarHBondContact O-N 2.85Å; M384-M387 HydrophobicContact CE-CE 4.45Å; M384-M387 HydrophobicContact SD-CE 3.47Å; M384-M387 WeakPolarHBondContact SD-CE 3.44Å; M384-S388 WeakPolarHBondContact O-CB 3.42Å; M384-S388 PolarHBondContact O-N 2.86Å; M384-S388 PolarHBondContact O-OG 2.82Å
385	R	84.9	Confident	81.5	Confident	201 Å²	201	78.5 Å²	78.5	76%	0.758	39%	0.387	S	S	*	.	H	α-helix	trans	-66.4	-48.8	174.1	-176.7	178.8	174.7	-172	-2.9	111.3	F381 Q382 L383 M387 S388 S389	F381-R385 WeakPolarHBondContact O-CB 3.45Å; F381-R385 PolarHBondContact O-N 3Å; Q382-R385 PolarHBondContact O-N 3.18Å; L383-R385 VanDerWaalsContact C-N 3.26Å; L383-R385 PolarHBondContact O-N 3.35Å; R385-M387 PolarHBondContact O-N 3.19Å; R385-S388 WeakPolarHBondContact CA-OG 3.47Å; R385-S388 PolarHBondContact O-N 3.11Å; R385-S388 VanDerWaalsContact O-N 3.16Å; R385-S388 PolarHBondContact O-OG 3.03Å; R385-S389 PolarHBondContact O-N 2.78Å
386	A	84.9	Confident	82.4	Confident	25 Å²	25	81.3 Å²	81.3	21%	0.207	38%	0.384	C	S	.	.	H	α-helix	trans	-57.4	-49.4	176.9	0	0	0	0	0	111.3	F229 Q382 L383 S388 S389 Y390	F229-A386 HydrophobicContact CD2-CB 4.4Å; F229-A386 HydrophobicContact CE2-CB 3.95Å; Q382-A386 WeakPolarHBondContact O-CB 3.36Å; Q382-A386 PolarHBondContact O-N 3.32Å; L383-A386 PolarHBondContact O-N 3.48Å; A386-S388 VanDerWaalsContact C-N 3.34Å; A386-S388 PolarHBondContact O-N 2.88Å; A386-S389 PolarHBondContact O-N 2.78Å; A386-S389 PolarHBondContact O-OG 3.07Å; A386-Y390 WeakPolarHBondContact O-CD2 3.33Å
387	M	84.1	Confident	83.1	Confident	6 Å²	6	79 Å²	79	3%	0.03	37%	0.373	C	S	.	.	H	α-helix	trans	-65.4	-34.8	175.6	-74.6	-171.3	-63.7	0	0	113.2	I226 M231 V258 L373 L383 M384 R385 S389 Y390 T391	I226-M387 HydrophobicContact CD1-CG 3.84Å; M231-M387 HydrophobicContact SD-SD 4.17Å; V258-M387 HydrophobicContact CG1-SD 4.13Å; V258-M387 HydrophobicContact CG2-SD 4.26Å; L373-M387 HydrophobicContact CD1-CE 3.37Å; L373-M387 HydrophobicContact CD1-SD 4.03Å; L373-M387 HydrophobicContact CD2-CE 3.8Å; L373-M387 HydrophobicContact CD2-SD 3.95Å; L373-M387 HydrophobicContact CG-CE 4.21Å; L383-M387 HydrophobicContact CD1-CE 3.6Å; L383-M387 HydrophobicContact CD1-CG 4.02Å; L383-M387 HydrophobicContact CD1-SD 4.01Å; L383-M387 HydrophobicContact CD2-CE 4.22Å; L383-M387 HydrophobicContact CG-CE 3.56Å; L383-M387 PolarHBondContact O-N 2.88Å; M384-M387 HydrophobicContact CE-CE 4.45Å; M384-M387 HydrophobicContact SD-CE 3.47Å; M384-M387 WeakPolarHBondContact SD-CE 3.44Å; R385-M387 PolarHBondContact O-N 3.19Å; M387-S389 PolarHBondContact O-N 2.86Å; M387-Y390 PolarHBondContact O-N 3.09Å; M387-T391 WeakPolarHBondContact O-CG2 3.45Å; M387-T391 PolarHBondContact O-N 3.08Å; M387-T391 PolarHBondContact O-OG1 3.23Å
388	S	81.4	Confident	83.6	Confident	18 Å²	18	78.3 Å²	78.3	13%	0.126	37%	0.369	C	S	.	.	H	α-helix	trans	-64.1	-29.2	-179.6	73.7	0	0	0	0	112.8	M384 R385 A386 Y390 T391 R392	M384-S388 WeakPolarHBondContact O-CB 3.42Å; M384-S388 PolarHBondContact O-N 2.86Å; M384-S388 PolarHBondContact O-OG 2.82Å; R385-S388 WeakPolarHBondContact CA-OG 3.47Å; R385-S388 PolarHBondContact O-N 3.11Å; R385-S388 VanDerWaalsContact O-N 3.16Å; R385-S388 PolarHBondContact O-OG 3.03Å; A386-S388 VanDerWaalsContact C-N 3.34Å; A386-S388 PolarHBondContact O-N 2.88Å; S388-Y390 PolarHBondContact O-N 2.81Å; S388-T391 WeakPolarHBondContact CA-OG1 3.44Å; S388-T391 PolarHBondContact O-N 2.69Å; S388-R392 WeakPolarHBondContact O-CA 3.45Å; S388-R392 WeakPolarHBondContact O-CB 3.43Å; S388-R392 WeakPolarHBondContact O-CG 3.39Å; S388-R392 PolarHBondContact O-N 3.49Å
389	S	77	Confident	84.1	Confident	81 Å²	81	70.7 Å²	70.7	57%	0.566	34%	0.34	S	S	*	.	H	α-helix	trans	-61.1	-33.7	176.7	72.4	0	0	0	0	112.7	R385 A386 M387	R385-S389 PolarHBondContact O-N 2.78Å; A386-S389 PolarHBondContact O-N 2.78Å; A386-S389 PolarHBondContact O-OG 3.07Å; M387-S389 PolarHBondContact O-N 2.86Å
390	Y	76.8	Confident	84.8	Confident	101 Å²	101	70.3 Å²	70.3	40%	0.396	33%	0.332	S	S	.	.	H	α-helix	trans	-90.9	-35.8	178.2	-59.3	-73.5	0	0	0	112.9	I224 I226 A386 M387 S388	I224-Y390 HydrophobicContact CD1-CD1 3.78Å; I224-Y390 HydrophobicContact CD1-CE1 4.33Å; I224-Y390 HydrophobicContact CD1-CG 4.33Å; I224-Y390 HydrophobicContact CG2-CD1 4.09Å; I224-Y390 HydrophobicContact CG2-CD2 4.49Å; I224-Y390 HydrophobicContact CG2-CE1 3.84Å; I224-Y390 HydrophobicContact CG2-CE2 4.27Å; I224-Y390 HydrophobicContact CG2-CG 4.41Å; I226-Y390 HydrophobicContact CD1-CD2 4.27Å; I226-Y390 HydrophobicContact CD1-CE2 4.38Å; I226-Y390 HydrophobicContact CG1-CE2 4.48Å; A386-Y390 WeakPolarHBondContact O-CD2 3.33Å; M387-Y390 PolarHBondContact O-N 3.09Å; S388-Y390 PolarHBondContact O-N 2.81Å
391	T	81.6	Confident	85.1	Confident	49 Å²	49	72.5 Å²	72.5	30%	0.301	34%	0.336	S	S	.	.	H	α-helix	trans	-88	-28.3	-173.7	54.8	0	0	0	0	113.8	L233 H256 M387 S388 M393	L233-T391 HydrophobicContact CD1-CG2 3.69Å; H256-T391 HydrophobicContact CB-CG2 4.21Å; M387-T391 WeakPolarHBondContact O-CG2 3.45Å; M387-T391 PolarHBondContact O-N 3.08Å; M387-T391 PolarHBondContact O-OG1 3.23Å; S388-T391 WeakPolarHBondContact CA-OG1 3.44Å; S388-T391 PolarHBondContact O-N 2.69Å; T391-M393 PolarHBondContact O-N 2.88Å
392	R	84.1	Confident	85.5	Confident	135 Å²	135	64.2 Å²	64.2	51%	0.509	30%	0.3	S	S	.	.			trans	-91.3	89.9	177.4	-60.2	-176.3	-177.3	166.6	2.7	110.3	S388	S388-R392 WeakPolarHBondContact O-CA 3.45Å; S388-R392 WeakPolarHBondContact O-CB 3.43Å; S388-R392 WeakPolarHBondContact O-CG 3.39Å; S388-R392 PolarHBondContact O-N 3.49Å
393	M	85.5	Confident	85.7	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.015	29%	0.289	C	S	.	.			trans	-91.1	136.4	177.6	-65.5	175.3	-66.1	0	0	112	I254 T391 R398 R401 G769 T770	I254-M393 HydrophobicContact CB-CE 3.63Å; I254-M393 HydrophobicContact CG1-CE 4.18Å; I254-M393 HydrophobicContact CG2-CE 3.55Å; I254-M393 HydrophobicContact CG2-SD 4.32Å; T391-M393 PolarHBondContact O-N 2.88Å; M393-R398 HydrophobicContact CB-CB 4.42Å; M393-R401 WeakPolarHBondContact SD-CD 3.43Å; M393-G769 CarbonylContact O-C 3.5Å; M393-G769 VanDerWaalsContact O-CA 3.22Å; M393-G769 WeakPolarHBondContact O-CA 3.4Å; M393-T770 PolarHBondContact O-N 3.44Å; M393-T770 PolarHBondContact O-OG1 2.85Å
394	N	87.3	Confident	85.9	Confident	85 Å²	85	65.8 Å²	65.8	46%	0.455	31%	0.312	S	S	.	.			trans	-66.6	146.8	167.3	-177.3	-57.1	0	0	0	109.8	K396 Q397 R398	N394-K396 VanDerWaalsContact C-N 3.3Å; N394-K396 PolarHBondContact O-N 3.05Å; N394-K396 PolarHBondContact OD1-N 3.24Å; N394-Q397 WeakPolarHBondContact O-CB 3.44Å; N394-Q397 PolarHBondContact O-N 2.82Å; N394-Q397 VanDerWaalsContact O-N 3.15Å; N394-R398 PolarHBondContact O-N 2.64Å
395	P	89.9	Confident	86.1	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.006	30%	0.297	C	S	.	.	H	α-helix	trans	-35.9	-50.2	171.7	-39.3	39	0	0	0	116.9	R398 T399 F735 G738 N740 G769	P395-R398 PolarHBondContact O-N 3.2Å; P395-T399 PolarHBondContact O-N 3.35Å; P395-T399 PolarHBondContact O-OG1 3.24Å; P395-F735 HydrophobicContact CB-CD1 3.69Å; P395-F735 HydrophobicContact CB-CE1 4.05Å; P395-F735 HydrophobicContact CG-CD1 4.2Å; P395-F735 HydrophobicContact CG-CE1 4.45Å; P395-G738 VanDerWaalsContact CB-O 3.23Å; P395-G738 WeakPolarHBondContact CB-O 3.5Å; P395-N740 HydrophobicContact CG-CB 4.27Å; P395-N740 VanDerWaalsContact CG-CG 3.43Å; P395-N740 WeakPolarHBondContact CG-OD1 3.46Å; P395-G769 WeakPolarHBondContact CD-O 3.29Å
396	K	88.1	Confident	86.4	Confident	141 Å²	141	53.4 Å²	53.4	61%	0.613	26%	0.262	S	S	*	.	H	α-helix	trans	-61.6	-52.5	-179.3	-174.8	174.5	-179.3	178.2	0	111.6	N394 R398 T399 D400 G738	N394-K396 VanDerWaalsContact C-N 3.3Å; N394-K396 PolarHBondContact O-N 3.05Å; N394-K396 PolarHBondContact OD1-N 3.24Å; K396-R398 PolarHBondContact O-N 2.7Å; K396-T399 WeakPolarHBondContact O-CB 3.39Å; K396-T399 PolarHBondContact O-N 3.4Å; K396-T399 VanDerWaalsContact O-N 3.07Å; K396-D400 VanDerWaalsContact O-CG 3.26Å; K396-D400 PolarHBondContact O-N 2.71Å; K396-G738 PolarHBondContact N-O 3.05Å
397	Q	88.4	Confident	86.8	Confident	98 Å²	98	57.9 Å²	57.9	46%	0.458	28%	0.278	S	S	.	.	H	α-helix	trans	-58.5	-32.4	177.2	-71.6	178.2	-28.2	0	0	113.6	N394 R401	N394-Q397 WeakPolarHBondContact O-CB 3.44Å; N394-Q397 PolarHBondContact O-N 2.82Å; N394-Q397 VanDerWaalsContact O-N 3.15Å; Q397-R401 WeakPolarHBondContact O-CG 3.17Å; Q397-R401 PolarHBondContact O-N 2.95Å; Q397-R401 PolarHBondContact O-NH1 2.81Å
398	R	89.8	Confident	87.2	Confident	14 Å²	14	61.5 Å²	61.5	5%	0.053	29%	0.292	C	S	.	.	H	α-helix	trans	-72.6	-45	175.5	-175.3	178.9	-66.6	-84.6	-5	110.8	E253 I254 M393 N394 P395 K396 D400 R401 L402 F735 T770	E253-R398 IonicContact OE1-CZ 3.68Å; E253-R398 IonicContact OE1-NH1 2.82Å; E253-R398 PolarHBondContact OE1-NH1 2.76Å; E253-R398 IonicContact OE2-CZ 3.35Å; E253-R398 IonicContact OE2-NH1 3.05Å; E253-R398 PolarHBondContact OE2-NH1 3.03Å; I254-R398 HydrophobicContact CG1-CG 4.25Å; M393-R398 HydrophobicContact CB-CB 4.42Å; N394-R398 PolarHBondContact O-N 2.64Å; P395-R398 PolarHBondContact O-N 3.2Å; K396-R398 PolarHBondContact O-N 2.7Å; R398-D400 VanDerWaalsContact C-N 3.31Å; R398-D400 PolarHBondContact O-N 2.76Å; R398-R401 PolarHBondContact O-N 3.3Å; R398-L402 HydrophobicContact CG-CD1 4.28Å; R398-L402 WeakPolarHBondContact O-CG 3.28Å; R398-L402 PolarHBondContact O-N 3.5Å; R398-F735 HydrophobicContact CG-CZ 4.3Å; R398-T770 PolarHBondContact NE-OG1 3.47Å
399	T	88.1	Confident	87.6	Confident	4 Å²	4	60.7 Å²	60.7	3%	0.025	29%	0.286	C	S	.	.	H	α-helix	trans	-60.1	-42.4	176.9	-52.8	0	0	0	0	111.1	P395 K396 R401 L402 R403	P395-T399 PolarHBondContact O-N 3.35Å; P395-T399 PolarHBondContact O-OG1 3.24Å; K396-T399 WeakPolarHBondContact O-CB 3.39Å; K396-T399 PolarHBondContact O-N 3.4Å; K396-T399 VanDerWaalsContact O-N 3.07Å; T399-R401 PolarHBondContact O-N 2.88Å; T399-L402 PolarHBondContact O-N 3.03Å; T399-R403 WeakPolarHBondContact O-CG 3.42Å; T399-R403 PolarHBondContact O-N 3.14Å
400	D	88.3	Confident	88.4	Confident	71 Å²	71	59 Å²	59	38%	0.38	27%	0.269	S	S	.	.	H	α-helix	trans	-63.9	-41.3	177.8	-63	-26	0	0	0	111.9	K396 R398 R403 A404	K396-D400 VanDerWaalsContact O-CG 3.26Å; K396-D400 PolarHBondContact O-N 2.71Å; R398-D400 VanDerWaalsContact C-N 3.31Å; R398-D400 PolarHBondContact O-N 2.76Å; D400-R403 PolarHBondContact O-N 3.25Å; D400-R403 IonicContact OD1-NH1 2.78Å; D400-A404 WeakPolarHBondContact O-CB 3.47Å; D400-A404 PolarHBondContact O-N 3.04Å
401	R	88.3	Confident	89.2	Confident	107 Å²	107	58.8 Å²	58.8	40%	0.404	28%	0.275	S	S	.	.	H	α-helix	trans	-65.7	-37.3	174.5	-76.3	177.1	178.4	79.2	-4.3	112.9	I254 M393 Q397 R398 T399 A404 F405	I254-R401 HydrophobicContact CD1-CB 3.91Å; I254-R401 HydrophobicContact CG1-CB 4.24Å; M393-R401 WeakPolarHBondContact SD-CD 3.43Å; Q397-R401 WeakPolarHBondContact O-CG 3.17Å; Q397-R401 PolarHBondContact O-N 2.95Å; Q397-R401 PolarHBondContact O-NH1 2.81Å; R398-R401 PolarHBondContact O-N 3.3Å; T399-R401 PolarHBondContact O-N 2.88Å; R401-A404 PolarHBondContact O-N 3.42Å; R401-F405 WeakPolarHBondContact O-CB 3.44Å; R401-F405 PolarHBondContact O-N 3.15Å
402	L	89.8	Confident	89.9	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-64.7	-41.3	174.8	-73	166.6	0	0	0	111.4	N102 F104 T252 I254 R398 T399 F405 N406	N102-L402 HydrophobicContact CB-CD1 3.59Å; F104-L402 HydrophobicContact CZ-CB 4.32Å; T252-L402 HydrophobicContact CG2-CD2 4.02Å; T252-L402 WeakPolarHBondContact O-CD2 3.41Å; I254-L402 HydrophobicContact CD1-CD2 4.03Å; I254-L402 HydrophobicContact CD1-CG 4.28Å; I254-L402 HydrophobicContact CG1-CD2 4.43Å; I254-L402 HydrophobicContact CG1-CG 4.46Å; R398-L402 HydrophobicContact CG-CD1 4.28Å; R398-L402 WeakPolarHBondContact O-CG 3.28Å; R398-L402 PolarHBondContact O-N 3.5Å; T399-L402 PolarHBondContact O-N 3.03Å; L402-F405 PolarHBondContact O-N 3.18Å; L402-N406 PolarHBondContact O-N 2.92Å
403	R	89.7	Confident	90.4	Very high	117 Å²	117	55.4 Å²	55.4	44%	0.442	27%	0.271	S	S	.	.	H	α-helix	trans	-64.4	-42.9	173.5	-70.6	177.6	-175.2	147	-3.4	111.9	T399 D400 F405 N406 H407	T399-R403 WeakPolarHBondContact O-CG 3.42Å; T399-R403 PolarHBondContact O-N 3.14Å; D400-R403 PolarHBondContact O-N 3.25Å; D400-R403 IonicContact OD1-NH1 2.78Å; R403-F405 VanDerWaalsContact C-N 3.33Å; R403-F405 PolarHBondContact O-N 3.18Å; R403-N406 PolarHBondContact O-N 3.27Å; R403-H407 WeakPolarHBondContact O-CB 3.22Å; R403-H407 PolarHBondContact O-N 3Å
404	A	89.9	Confident	90.8	Very high	59 Å²	59	60.8 Å²	60.8	49%	0.488	30%	0.296	S	S	.	.	H	α-helix	trans	-61.4	-41.2	176.3	0	0	0	0	0	111.9	D400 R401 H407 R408	D400-A404 WeakPolarHBondContact O-CB 3.47Å; D400-A404 PolarHBondContact O-N 3.04Å; R401-A404 PolarHBondContact O-N 3.42Å; A404-H407 PolarHBondContact O-N 3.3Å; A404-R408 WeakPolarHBondContact O-CB 3.43Å; A404-R408 PolarHBondContact O-N 2.59Å
405	F	89.2	Confident	91.1	Very high	1 Å²	1	56.8 Å²	56.8	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-61.3	-49.6	172.8	170.5	-100.2	0	0	0	112.2	M205 L208 Y237 T239 T252 R401 L402 R403 H407 R408 L409	M205-F405 HydrophobicContact CE-CE1 4.4Å; M205-F405 HydrophobicContact CE-CZ 3.77Å; M205-F405 HydrophobicContact SD-CE2 4.4Å; M205-F405 HydrophobicContact SD-CZ 3.87Å; L208-F405 HydrophobicContact CD1-CD2 4.46Å; L208-F405 HydrophobicContact CD1-CE2 3.72Å; L208-F405 HydrophobicContact CD1-CZ 4.35Å; Y237-F405 HydrophobicContact CD1-CB 4.15Å; Y237-F405 HydrophobicContact CD1-CD1 4.49Å; Y237-F405 AromaticContact CD1-CD2 3.64Å; Y237-F405 HydrophobicContact CD1-CD2 3.64Å; Y237-F405 HydrophobicContact CD1-CE2 4.12Å; Y237-F405 AromaticContact CD1-CG 3.83Å; Y237-F405 HydrophobicContact CD1-CG 3.83Å; Y237-F405 AromaticContact CD2-CD2 3.62Å; Y237-F405 HydrophobicContact CD2-CD2 3.62Å; Y237-F405 AromaticContact CD2-CE2 3.7Å; Y237-F405 HydrophobicContact CD2-CE2 3.7Å; Y237-F405 HydrophobicContact CE1-CB 3.51Å; Y237-F405 AromaticContact CE1-CD2 3.55Å; Y237-F405 HydrophobicContact CE1-CD2 3.55Å; Y237-F405 HydrophobicContact CE1-CE2 4.44Å; Y237-F405 AromaticContact CE1-CG 3.65Å; Y237-F405 HydrophobicContact CE1-CG 3.65Å; Y237-F405 AromaticContact CE2-CD2 3.53Å; Y237-F405 HydrophobicContact CE2-CD2 3.53Å; Y237-F405 HydrophobicContact CE2-CE2 4.05Å; Y237-F405 HydrophobicContact CE2-CG 4.45Å; Y237-F405 AromaticContact CG-CD2 3.68Å; Y237-F405 HydrophobicContact CG-CD2 3.68Å; Y237-F405 AromaticContact CG-CE2 3.74Å; Y237-F405 HydrophobicContact CG-CE2 3.74Å; Y237-F405 HydrophobicContact CG-CG 4.29Å; Y237-F405 HydrophobicContact CG-CZ 4.42Å; Y237-F405 AromaticContact CZ-CD2 3.49Å; Y237-F405 VanDerWaalsContact CZ-CD2 3.49Å; Y237-F405 AromaticContact CZ-CG 3.98Å; T239-F405 HydrophobicContact CG2-CZ 4.43Å; T252-F405 HydrophobicContact CG2-CD1 3.75Å; T252-F405 HydrophobicContact CG2-CE1 3.63Å; T252-F405 HydrophobicContact CG2-CG 4.4Å; T252-F405 HydrophobicContact CG2-CZ 4.19Å; R401-F405 WeakPolarHBondContact O-CB 3.44Å; R401-F405 PolarHBondContact O-N 3.15Å; L402-F405 PolarHBondContact O-N 3.18Å; R403-F405 VanDerWaalsContact C-N 3.33Å; R403-F405 PolarHBondContact O-N 3.18Å; F405-H407 VanDerWaalsContact C-N 3.3Å; F405-H407 PolarHBondContact O-N 3.27Å; F405-R408 PolarHBondContact O-N 2.84Å; F405-L409 HydrophobicContact CE1-CD2 4.44Å; F405-L409 HydrophobicContact CZ-CD2 4.49Å; F405-L409 PolarHBondContact O-N 3.17Å
406	N	92.3	Very high	91.3	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-58.7	-44.8	178.2	-169.8	25.2	0	0	0	111	F104 L402 R403 R408 L409 Q410 L426 D427 K428	F104-N406 HydrophobicContact CD1-CB 4.34Å; F104-N406 WeakPolarHBondContact CD1-ND2 3.32Å; F104-N406 HydrophobicContact CE1-CB 3.74Å; F104-N406 VanDerWaalsContact CE1-ND2 3.32Å; F104-N406 WeakPolarHBondContact CE1-ND2 3.32Å; F104-N406 HydrophobicContact CE2-CB 4.25Å; F104-N406 HydrophobicContact CZ-CB 3.69Å; L402-N406 PolarHBondContact O-N 2.92Å; R403-N406 PolarHBondContact O-N 3.27Å; N406-R408 PolarHBondContact O-N 2.92Å; N406-L409 PolarHBondContact O-N 2.64Å; N406-Q410 PolarHBondContact ND2-NE2 3.14Å; N406-Q410 WeakPolarHBondContact O-CB 3.38Å; N406-Q410 WeakPolarHBondContact O-CG 3.41Å; N406-Q410 PolarHBondContact O-N 3.26Å; N406-Q410 PolarHBondContact OD1-NE2 3.46Å; N406-L426 WeakPolarHBondContact OD1-CD2 3.3Å; N406-D427 PolarHBondContact ND2-O 2.78Å; N406-K428 WeakPolarHBondContact ND2-CA 3.48Å; N406-K428 PolarHBondContact ND2-O 2.96Å
407	H	93.4	Very high	91.5	Very high	119 Å²	119	57.6 Å²	57.6	55%	0.551	28%	0.28	S	S	*	.	H	α-helix	trans	-61.9	-44.2	177.4	-167.7	63.4	0	0	0	112.2	R403 A404 F405 L409 Q410 N411	R403-H407 WeakPolarHBondContact O-CB 3.22Å; R403-H407 PolarHBondContact O-N 3Å; A404-H407 PolarHBondContact O-N 3.3Å; F405-H407 VanDerWaalsContact C-N 3.3Å; F405-H407 PolarHBondContact O-N 3.27Å; H407-L409 PolarHBondContact O-N 2.94Å; H407-Q410 PolarHBondContact O-N 3.23Å; H407-N411 PolarHBondContact CD2-ND2 3.21Å; H407-N411 PolarHBondContact CE1-ND2 3.05Å; H407-N411 PolarHBondContact NE2-ND2 3.25Å; H407-N411 WeakPolarHBondContact O-CB 3.2Å; H407-N411 PolarHBondContact O-N 3.07Å; H407-N411 PolarHBondContact O-ND2 3.08Å
408	R	92	Very high	91.6	Very high	82 Å²	82	53.6 Å²	53.6	31%	0.309	26%	0.262	S	S	.	.	H	α-helix	trans	-58.7	-46.2	174.1	-178.4	-175.4	170.1	169.2	-5.9	111.4	L208 D219 A404 F405 N406 Q410 N411 T412	L208-R408 HydrophobicContact CD2-CG 3.8Å; L208-R408 PolarHBondContact O-NH2 3.16Å; D219-R408 IonicContact OD2-CZ 2.68Å; D219-R408 IonicContact OD2-NH1 3.75Å; D219-R408 PolarHBondContact OD2-NH1 3.42Å; D219-R408 IonicContact OD2-NH2 3.41Å; D219-R408 PolarHBondContact OD2-NH2 3.06Å; A404-R408 WeakPolarHBondContact O-CB 3.43Å; A404-R408 PolarHBondContact O-N 2.59Å; F405-R408 PolarHBondContact O-N 2.84Å; N406-R408 PolarHBondContact O-N 2.92Å; R408-Q410 VanDerWaalsContact C-N 3.34Å; R408-Q410 PolarHBondContact O-N 3.39Å; R408-N411 PolarHBondContact O-N 2.79Å; R408-T412 WeakPolarHBondContact O-CB 3.11Å; R408-T412 PolarHBondContact O-N 3.44Å; R408-T412 VanDerWaalsContact O-N 3.16Å; R408-T412 PolarHBondContact O-OG1 2.99Å
409	L	91.1	Very high	91.7	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-40.2	178.4	-173	66.3	0	0	0	112.1	M205 L208 L250 F405 N406 H407 V416 L426	M205-L409 HydrophobicContact CE-CD1 4.44Å; M205-L409 HydrophobicContact CE-CD2 3.86Å; M205-L409 HydrophobicContact SD-CD1 4.12Å; L208-L409 HydrophobicContact CD1-CB 4.47Å; L208-L409 HydrophobicContact CD1-CD1 3.79Å; L208-L409 HydrophobicContact CD2-CB 4.44Å; L208-L409 HydrophobicContact CD2-CD1 4.11Å; L208-L409 HydrophobicContact CG-CD1 3.83Å; L250-L409 HydrophobicContact CD2-CD2 4.43Å; F405-L409 HydrophobicContact CE1-CD2 4.44Å; F405-L409 HydrophobicContact CZ-CD2 4.49Å; F405-L409 PolarHBondContact O-N 3.17Å; N406-L409 PolarHBondContact O-N 2.64Å; H407-L409 PolarHBondContact O-N 2.94Å; L409-V416 WeakPolarHBondContact O-CG2 3.39Å; L409-L426 HydrophobicContact CD2-CD2 3.58Å; L409-L426 HydrophobicContact CG-CD2 4.37Å
410	Q	92.8	Very high	91.9	Very high	44 Å²	44	61.9 Å²	61.9	21%	0.206	29%	0.294	C	S	.	.	H	α-helix	trans	-76	-21.7	177.9	-70.2	-167.7	25.8	0	0	114.6	N406 H407 R408 V416 L426 D427	N406-Q410 PolarHBondContact ND2-NE2 3.14Å; N406-Q410 WeakPolarHBondContact O-CB 3.38Å; N406-Q410 WeakPolarHBondContact O-CG 3.41Å; N406-Q410 PolarHBondContact O-N 3.26Å; N406-Q410 PolarHBondContact OD1-NE2 3.46Å; H407-Q410 PolarHBondContact O-N 3.23Å; R408-Q410 VanDerWaalsContact C-N 3.34Å; R408-Q410 PolarHBondContact O-N 3.39Å; Q410-V416 WeakPolarHBondContact O-CG2 3.34Å; Q410-L426 HydrophobicContact CG-CD2 4.45Å; Q410-L426 PolarHBondContact NE2-O 2.92Å; Q410-D427 PolarHBondContact NE2-O 2.95Å
411	N	94.8	Very high	92	Very high	97 Å²	97	60 Å²	60	52%	0.519	28%	0.284	S	S	.	.	H	α-helix	trans	-93.5	-6.6	176.9	-67.1	-15.1	0	0	0	113.1	H407 R408 P413	H407-N411 PolarHBondContact CD2-ND2 3.21Å; H407-N411 PolarHBondContact CE1-ND2 3.05Å; H407-N411 PolarHBondContact NE2-ND2 3.25Å; H407-N411 WeakPolarHBondContact O-CB 3.2Å; H407-N411 PolarHBondContact O-N 3.07Å; H407-N411 PolarHBondContact O-ND2 3.08Å; R408-N411 PolarHBondContact O-N 2.79Å; N411-P413 VanDerWaalsContact O-CD 3.26Å; N411-P413 WeakPolarHBondContact O-CD 3.25Å
412	T	95.8	Very high	92.1	Very high	23 Å²	23	55 Å²	55	14%	0.141	27%	0.265	C	S	.	.			trans	-89.3	106	179.9	-59.7	0	0	0	0	109.3	G207 L208 R408 E414 S415 V416	G207-T412 WeakPolarHBondContact O-CG2 3.48Å; L208-T412 HydrophobicContact CD2-CG2 4.39Å; L208-T412 WeakPolarHBondContact CD2-OG1 3.47Å; R408-T412 WeakPolarHBondContact O-CB 3.11Å; R408-T412 PolarHBondContact O-N 3.44Å; R408-T412 VanDerWaalsContact O-N 3.16Å; R408-T412 PolarHBondContact O-OG1 2.99Å; T412-E414 VanDerWaalsContact C-N 3.27Å; T412-E414 VanDerWaalsContact CG2-OE2 3.3Å; T412-E414 WeakPolarHBondContact CG2-OE2 3.43Å; T412-E414 PolarHBondContact O-N 2.73Å; T412-S415 VanDerWaalsContact CG2-OG 3.31Å; T412-S415 WeakPolarHBondContact CG2-OG 3.36Å; T412-S415 PolarHBondContact O-N 2.75Å; T412-V416 WeakPolarHBondContact O-CG2 3.28Å; T412-V416 PolarHBondContact O-N 2.96Å
413	P	94.9	Very high	92.2	Very high	91 Å²	91	57.5 Å²	57.5	59%	0.591	28%	0.278	S	S	*	.	H	α-helix	trans	-57.7	-37.6	-171	-24.8	36	0	0	0	113.2	N411 S415 V416 K417	N411-P413 VanDerWaalsContact O-CD 3.26Å; N411-P413 WeakPolarHBondContact O-CD 3.25Å; P413-S415 VanDerWaalsContact C-N 3.33Å; P413-S415 PolarHBondContact O-N 3.11Å; P413-V416 PolarHBondContact O-N 2.87Å; P413-K417 WeakPolarHBondContact O-CB 3.37Å; P413-K417 PolarHBondContact O-N 2.87Å
414	E	93.5	Very high	92.3	Very high	116 Å²	116	52 Å²	52	54%	0.542	26%	0.258	S	S	.	.	H	α-helix	trans	-64.3	-39.1	178.8	-58.6	72.6	-157.6	0	0	111.5	T412 V418	T412-E414 VanDerWaalsContact C-N 3.27Å; T412-E414 VanDerWaalsContact CG2-OE2 3.3Å; T412-E414 WeakPolarHBondContact CG2-OE2 3.43Å; T412-E414 PolarHBondContact O-N 2.73Å; E414-V418 WeakPolarHBondContact O-CG2 3.41Å; E414-V418 PolarHBondContact O-N 2.74Å
415	S	93	Very high	92.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-73.1	-43.7	-179.2	-53.4	0	0	0	0	111.2	S204 G207 L208 T412 P413 V418 L419	S204-S415 WeakPolarHBondContact O-CB 3.41Å; S204-S415 PolarHBondContact O-OG 3.18Å; S204-S415 PolarHBondContact OG-O 3.22Å; G207-S415 WeakPolarHBondContact CA-OG 3.44Å; L208-S415 PolarHBondContact N-OG 3.09Å; T412-S415 VanDerWaalsContact CG2-OG 3.31Å; T412-S415 WeakPolarHBondContact CG2-OG 3.36Å; T412-S415 PolarHBondContact O-N 2.75Å; P413-S415 VanDerWaalsContact C-N 3.33Å; P413-S415 PolarHBondContact O-N 3.11Å; S415-V418 PolarHBondContact O-N 3.28Å; S415-L419 PolarHBondContact O-N 2.84Å
416	V	94	Very high	92.6	Very high	24 Å²	24	55.4 Å²	55.4	15%	0.145	26%	0.264	C	S	.	.	H	α-helix	trans	-67	-41.3	178.9	174.5	0	0	0	0	111.4	L409 Q410 T412 P413 V418 L419 R420	L409-V416 WeakPolarHBondContact O-CG2 3.39Å; Q410-V416 WeakPolarHBondContact O-CG2 3.34Å; T412-V416 WeakPolarHBondContact O-CG2 3.28Å; T412-V416 PolarHBondContact O-N 2.96Å; P413-V416 PolarHBondContact O-N 2.87Å; V416-V418 VanDerWaalsContact C-N 3.28Å; V416-V418 PolarHBondContact O-N 2.83Å; V416-L419 PolarHBondContact O-N 3.43Å; V416-L419 VanDerWaalsContact O-N 3.1Å; V416-R420 HydrophobicContact CG1-CG 4.08Å; V416-R420 VanDerWaalsContact CG1-NE 3.28Å; V416-R420 WeakPolarHBondContact O-CG 3.47Å; V416-R420 PolarHBondContact O-N 2.87Å
417	K	91.9	Very high	92.7	Very high	135 Å²	135	56.7 Å²	56.7	59%	0.587	27%	0.271	S	S	*	.	H	α-helix	trans	-53.8	-47.7	176.2	-179.8	176.7	178.4	177.9	0	110.6	P413 L419 R420 D421	P413-K417 WeakPolarHBondContact O-CB 3.37Å; P413-K417 PolarHBondContact O-N 2.87Å; K417-L419 VanDerWaalsContact C-N 3.32Å; K417-L419 PolarHBondContact O-N 3.04Å; K417-R420 PolarHBondContact O-N 2.85Å; K417-D421 VanDerWaalsContact O-CB 3.27Å; K417-D421 WeakPolarHBondContact O-CB 3.39Å; K417-D421 PolarHBondContact O-N 2.82Å
418	V	91.5	Very high	92.4	Very high	14 Å²	14	58 Å²	58	9%	0.085	28%	0.275	C	S	.	.	H	α-helix	trans	-58.5	-41	178.1	175.3	0	0	0	0	112.5	I200 R203 E414 S415 V416 W422	I200-V418 HydrophobicContact CG2-CG1 4.38Å; R203-V418 HydrophobicContact CB-CG1 4.02Å; R203-V418 HydrophobicContact CG-CG1 3.99Å; R203-V418 HydrophobicContact CG-CG2 3.95Å; E414-V418 WeakPolarHBondContact O-CG2 3.41Å; E414-V418 PolarHBondContact O-N 2.74Å; S415-V418 PolarHBondContact O-N 3.28Å; V416-V418 VanDerWaalsContact C-N 3.28Å; V416-V418 PolarHBondContact O-N 2.83Å; V418-W422 VanDerWaalsContact O-CD1 3.27Å
419	L	91.5	Very high	92.1	Very high	13 Å²	13	60.3 Å²	60.3	7%	0.068	29%	0.293	C	S	.	.	H	α-helix	trans	-70.7	-44.5	178.6	-65.1	176.9	0	0	0	111.6	I200 S415 V416 K417 D421 W422 N423 M424 L426	I200-L419 HydrophobicContact CG2-CD2 4.29Å; S415-L419 PolarHBondContact O-N 2.84Å; V416-L419 PolarHBondContact O-N 3.43Å; V416-L419 VanDerWaalsContact O-N 3.1Å; K417-L419 VanDerWaalsContact C-N 3.32Å; K417-L419 PolarHBondContact O-N 3.04Å; L419-D421 VanDerWaalsContact C-N 3.3Å; L419-D421 PolarHBondContact O-N 3.27Å; L419-W422 CarbonylContact O-C 3.53Å; L419-W422 PolarHBondContact O-N 3.17Å; L419-W422 VanDerWaalsContact O-N 3.09Å; L419-N423 PolarHBondContact O-N 2.84Å; L419-M424 CarbonylContact C-O 3.44Å; L419-M424 VanDerWaalsContact C-O 3.23Å; L419-M424 WeakPolarHBondContact CB-O 3.5Å; L419-M424 PolarHBondContact O-N 2.88Å; L419-M424 VanDerWaalsContact O-O 3.14Å; L419-L426 HydrophobicContact CD1-CB 4.28Å
420	R	91.8	Very high	92	Very high	180 Å²	180	61.1 Å²	61.1	68%	0.679	30%	0.298	S	S	*	.	H	α-helix	trans	-61.3	-39.1	176.1	-72.2	-173	-164.6	165.2	7.5	112.3	V416 K417 W422 N423	V416-R420 HydrophobicContact CG1-CG 4.08Å; V416-R420 VanDerWaalsContact CG1-NE 3.28Å; V416-R420 WeakPolarHBondContact O-CG 3.47Å; V416-R420 PolarHBondContact O-N 2.87Å; K417-R420 PolarHBondContact O-N 2.85Å; R420-W422 PolarHBondContact O-N 2.75Å; R420-W422 VanDerWaalsContact O-N 3.16Å; R420-N423 WeakPolarHBondContact O-CA 3.4Å; R420-N423 PolarHBondContact O-N 2.8Å
421	D	90.8	Very high	92	Very high	31 Å²	31	60 Å²	60	17%	0.166	29%	0.294	C	S	.	.	H	α-helix	trans	-57.9	-29.2	177.1	-74.9	-12.1	0	0	0	111.5	S144 G145 K417 L419	S144-D421 WeakPolarHBondContact O-CB 3.26Å; S144-D421 WeakPolarHBondContact OG-CA 3.4Å; S144-D421 PolarHBondContact OG-O 2.66Å; G145-D421 WeakPolarHBondContact CA-O 3.41Å; G145-D421 PolarHBondContact N-O 3.35Å; K417-D421 VanDerWaalsContact O-CB 3.27Å; K417-D421 WeakPolarHBondContact O-CB 3.39Å; K417-D421 PolarHBondContact O-N 2.82Å; L419-D421 VanDerWaalsContact C-N 3.3Å; L419-D421 PolarHBondContact O-N 3.27Å
422	W	91.6	Very high	91.9	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.008	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	9	175.2	-77.1	79.1	0	0	0	114	W112 I114 L147 F154 T156 V196 I200 V418 L419 R420 M424	W112-W422 HydrophobicContact CZ2-CE3 4.42Å; W112-W422 PolarHBondContact NE1-O 2.94Å; I114-W422 HydrophobicContact CG1-CZ3 4.37Å; L147-W422 HydrophobicContact CB-CZ2 4.31Å; L147-W422 HydrophobicContact CD1-CH2 4.3Å; L147-W422 HydrophobicContact CD1-CZ2 4.15Å; L147-W422 HydrophobicContact CG-CH2 4.18Å; L147-W422 HydrophobicContact CG-CZ2 3.68Å; F154-W422 HydrophobicContact CB-CH2 4.24Å; F154-W422 WeakPolarHBondContact O-CH2 3.09Å; T156-W422 HydrophobicContact CG2-CE3 3.83Å; T156-W422 HydrophobicContact CG2-CZ3 4.27Å; V196-W422 HydrophobicContact CG1-CH2 4.12Å; V196-W422 HydrophobicContact CG1-CZ3 4.05Å; I200-W422 HydrophobicContact CD1-CB 4.5Å; I200-W422 HydrophobicContact CD1-CD2 3.35Å; I200-W422 HydrophobicContact CD1-CE3 3.32Å; I200-W422 HydrophobicContact CD1-CG 3.88Å; I200-W422 HydrophobicContact CD1-CH2 4.18Å; I200-W422 HydrophobicContact CD1-CZ2 4.23Å; I200-W422 HydrophobicContact CD1-CZ3 3.75Å; I200-W422 HydrophobicContact CG1-CD2 3.71Å; I200-W422 HydrophobicContact CG1-CE3 4.14Å; I200-W422 HydrophobicContact CG1-CG 4.08Å; I200-W422 HydrophobicContact CG1-CH2 4.46Å; I200-W422 HydrophobicContact CG1-CZ2 4.09Å; I200-W422 HydrophobicContact CG1-CZ3 4.48Å; I200-W422 HydrophobicContact CG2-CG 4.13Å; V418-W422 VanDerWaalsContact O-CD1 3.27Å; L419-W422 CarbonylContact O-C 3.53Å; L419-W422 PolarHBondContact O-N 3.17Å; L419-W422 VanDerWaalsContact O-N 3.09Å; R420-W422 PolarHBondContact O-N 2.75Å; R420-W422 VanDerWaalsContact O-N 3.16Å; W422-M424 HydrophobicContact CB-CG 3.94Å; W422-M424 HydrophobicContact CB-SD 4.12Å; W422-M424 WeakPolarHBondContact O-CG 3.26Å; W422-M424 PolarHBondContact O-N 2.81Å
423	N	90.9	Very high	91.8	Very high	53 Å²	53	59.6 Å²	59.6	28%	0.283	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	38.3	-173.6	-60.3	-79.8	0	0	0	113	K109 L419 R420	K109-N423 HydrophobicContact CD-CB 4.26Å; K109-N423 VanDerWaalsContact CE-OD1 3.3Å; K109-N423 WeakPolarHBondContact CE-OD1 3.44Å; K109-N423 HydrophobicContact CG-CB 4.41Å; K109-N423 PolarHBondContact NZ-OD1 3.34Å; L419-N423 PolarHBondContact O-N 2.84Å; R420-N423 WeakPolarHBondContact O-CA 3.4Å; R420-N423 PolarHBondContact O-N 2.8Å
424	M	91.6	Very high	91.8	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.015	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	137.7	177.3	-49.8	-177.8	84.7	0	0	109.9	L106 K107 T108 W112 L197 I200 I248 L419 W422	L106-M424 HydrophobicContact CB-CE 4.11Å; L106-M424 HydrophobicContact CD2-CE 3.41Å; L106-M424 VanDerWaalsContact CD2-CE 3.41Å; L106-M424 HydrophobicContact CD2-SD 4.17Å; L106-M424 HydrophobicContact CG-CE 4.37Å; K107-M424 CarbonylContact O-C 3.55Å; K107-M424 WeakPolarHBondContact O-CA 3.43Å; T108-M424 HydrophobicContact CG2-CE 4.09Å; T108-M424 HydrophobicContact CG2-CG 4.28Å; W112-M424 HydrophobicContact CH2-CE 4.39Å; W112-M424 HydrophobicContact CZ2-CE 4.37Å; W112-M424 HydrophobicContact CZ2-CG 4.37Å; W112-M424 HydrophobicContact CZ2-SD 4.16Å; L197-M424 HydrophobicContact CD2-CE 3.8Å; L197-M424 HydrophobicContact CD2-SD 4.45Å; I200-M424 HydrophobicContact CD1-SD 4.44Å; I200-M424 HydrophobicContact CG2-SD 4.34Å; I248-M424 HydrophobicContact CD1-CE 4.12Å; L419-M424 CarbonylContact C-O 3.44Å; L419-M424 VanDerWaalsContact C-O 3.23Å; L419-M424 WeakPolarHBondContact CB-O 3.5Å; L419-M424 PolarHBondContact O-N 2.88Å; L419-M424 VanDerWaalsContact O-O 3.14Å; W422-M424 HydrophobicContact CB-CG 3.94Å; W422-M424 HydrophobicContact CB-SD 4.12Å; W422-M424 WeakPolarHBondContact O-CG 3.26Å; W422-M424 PolarHBondContact O-N 2.81Å
425	E	93.1	Very high	92	Very high	124 Å²	124	55.7 Å²	55.7	58%	0.579	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.6	174	-170.1	-179.1	172.4	0	0	110	L106 K107	L106-E425 CarbonylContact C-O 3.56Å; L106-E425 WeakPolarHBondContact CA-O 3.49Å; K107-E425 HydrophobicContact CB-CB 4.41Å; K107-E425 PolarHBondContact N-O 2.81Å; K107-E425 PolarHBondContact O-N 2.73Å
426	L	93.4	Very high	92.2	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.037	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	127.6	178.8	-174.2	63.1	0	0	0	110.3	F104 L106 L250 N406 L409 Q410 L419 K428	F104-L426 HydrophobicContact CB-CD1 3.56Å; F104-L426 HydrophobicContact CB-CG 4.33Å; F104-L426 HydrophobicContact CG-CD1 4.49Å; L106-L426 HydrophobicContact CD1-CD1 3.48Å; L106-L426 VanDerWaalsContact CD1-CD1 3.48Å; L106-L426 HydrophobicContact CG-CD1 4.19Å; L250-L426 HydrophobicContact CB-CD1 4.42Å; L250-L426 HydrophobicContact CD2-CD1 4.03Å; L250-L426 HydrophobicContact CD2-CD2 4.4Å; N406-L426 WeakPolarHBondContact OD1-CD2 3.3Å; L409-L426 HydrophobicContact CD2-CD2 3.58Å; L409-L426 HydrophobicContact CG-CD2 4.37Å; Q410-L426 HydrophobicContact CG-CD2 4.45Å; Q410-L426 PolarHBondContact NE2-O 2.92Å; L419-L426 HydrophobicContact CD1-CB 4.28Å; L426-K428 PolarHBondContact O-N 2.88Å
427	D	92.8	Very high	92.3	Very high	31 Å²	31	57.3 Å²	57.3	17%	0.166	27%	0.268	C	S	.	.			trans	-65.6	135.3	176.1	-93.8	-22.5	0	0	0	112.3	R105 K107 N406 Q410 N429	R105-D427 HydrophobicContact CB-CB 4.21Å; R105-D427 WeakPolarHBondContact CB-OD2 3.41Å; R105-D427 WeakPolarHBondContact O-CB 3.45Å; R105-D427 PolarHBondContact O-N 3.49Å; K107-D427 VanDerWaalsContact CD-OD1 3.26Å; K107-D427 WeakPolarHBondContact CD-OD1 3.25Å; K107-D427 VanDerWaalsContact CE-CG 3.47Å; K107-D427 WeakPolarHBondContact CE-OD1 3.42Å; K107-D427 VanDerWaalsContact CE-OD2 3.31Å; K107-D427 WeakPolarHBondContact CE-OD2 3.47Å; K107-D427 IonicContact NZ-OD1 2.68Å; K107-D427 PolarHBondContact NZ-OD1 3.32Å; K107-D427 IonicContact NZ-OD2 3.62Å; N406-D427 PolarHBondContact ND2-O 2.78Å; Q410-D427 PolarHBondContact NE2-O 2.95Å; D427-N429 VanDerWaalsContact C-N 3.28Å
428	K	88.1	Confident	92.5	Very high	147 Å²	147	51.5 Å²	51.5	64%	0.639	24%	0.243	S	C	*	.	S	Bend	trans	-66.2	-35.3	175.9	-71.2	175.9	-177	-179.9	0	111.8	N406 L426	N406-K428 WeakPolarHBondContact ND2-CA 3.48Å; N406-K428 PolarHBondContact ND2-O 2.96Å; L426-K428 PolarHBondContact O-N 2.88Å
429	N	85.9	Confident	92.6	Very high	130 Å²	130	53 Å²	53	70%	0.695	26%	0.261	S	S	*	.	S	Bend	trans	-91.5	148.3	-177	-60.8	-24.2	0	0	0	110.2	D427	D427-N429 VanDerWaalsContact C-N 3.28Å
430	V	88.6	Confident	92.8	Very high	18 Å²	18	57.1 Å²	57.1	11%	0.109	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-67.3	143.6	169.8	173.3	0	0	0	0	108.8	T101 F104 E432	T101-V430 VanDerWaalsContact C-CG1 3.47Å; T101-V430 WeakPolarHBondContact O-CG1 3.16Å; F104-V430 HydrophobicContact CD1-CG2 4.47Å; F104-V430 HydrophobicContact CE1-CG2 3.7Å; F104-V430 HydrophobicContact CZ-CG2 4.12Å; V430-E432 PolarHBondContact O-N 3.21Å
431	T	92.1	Very high	93	Very high	21 Å²	21	49.2 Å²	49.2	13%	0.129	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-66.7	127.4	175.8	-48.2	0	0	0	0	109.5	T101 F103 R105 L249 V750	T101-T431 WeakPolarHBondContact CB-O 3.44Å; T101-T431 WeakPolarHBondContact CG2-O 3.42Å; T101-T431 PolarHBondContact N-O 3.34Å; T101-T431 VanDerWaalsContact N-O 3.08Å; T101-T431 PolarHBondContact OG1-O 3.18Å; F103-T431 WeakPolarHBondContact O-CB 3.45Å; F103-T431 PolarHBondContact O-N 3.02Å; F103-T431 PolarHBondContact O-OG1 2.78Å; R105-T431 PolarHBondContact N-OG1 3.32Å; L249-T431 HydrophobicContact CD2-CG2 4.41Å; T431-V750 HydrophobicContact CG2-CG1 4.01Å
432	E	92.4	Very high	93.3	Very high	109 Å²	109	50.1 Å²	50.1	51%	0.509	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	143.7	172.5	-58.2	-169.7	159.9	0	0	110.2	M98 L99 Q100 V430	M98-E432 HydrophobicContact CE-CB 3.58Å; L99-E432 CarbonylContact O-C 3.55Å; L99-E432 VanDerWaalsContact O-CA 3.29Å; L99-E432 WeakPolarHBondContact O-CA 3.45Å; Q100-E432 HydrophobicContact CG-CG 4.26Å; V430-E432 PolarHBondContact O-N 3.21Å
433	V	94.4	Very high	93.6	Very high	2 Å²	2	50 Å²	50	1%	0.012	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	136.7	-177.4	-177.8	0	0	0	0	109.2	L99 T101 G435 V747 V750 I751	L99-V433 PolarHBondContact N-O 3.09Å; L99-V433 PolarHBondContact O-N 2.84Å; T101-V433 HydrophobicContact CG2-CB 4.19Å; T101-V433 HydrophobicContact CG2-CG2 3.48Å; T101-V433 VanDerWaalsContact CG2-CG2 3.48Å; V433-G435 PolarHBondContact O-N 2.92Å; V433-V747 HydrophobicContact CG1-CG1 3.6Å; V433-V750 HydrophobicContact CB-CB 4.4Å; V433-V750 HydrophobicContact CG1-CB 3.9Å; V433-V750 HydrophobicContact CG1-CG2 4.02Å; V433-V750 HydrophobicContact CG2-CB 3.69Å; V433-V750 HydrophobicContact CG2-CG1 3.71Å; V433-V750 HydrophobicContact CG2-CG2 4.32Å; V433-I751 HydrophobicContact CG2-CG2 4Å
434	Q	95.4	Very high	93.9	Very high	126 Å²	126	49.3 Å²	49.3	59%	0.589	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	112	169.9	-168.8	176.5	29.4	0	0	108.9	M98	M98-Q434 HydrophobicContact SD-CB 3.94Å; M98-Q434 HydrophobicContact SD-CG 4.31Å
435	G	96.6	Very high	94.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-175.8	170.4	0	0	0	0	0	111.7	P96 V97 V433 I746	P96-G435 WeakPolarHBondContact CA-O 3.45Å; V97-G435 PolarHBondContact N-O 3.42Å; V97-G435 PolarHBondContact O-N 2.94Å; V433-G435 PolarHBondContact O-N 2.92Å; G435-I746 CarbonylContact C-O 3.55Å; G435-I746 WeakPolarHBondContact CA-O 3.23Å
436	R	97.3	Very high	94.1	Very high	21 Å²	21	48.6 Å²	48.6	8%	0.079	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	149.3	175.7	-64.5	173	-65.7	107.9	2.2	110.7	G91 D93 V95 T745 I746 D748	G91-R436 VanDerWaalsContact C-CZ 3.47Å; G91-R436 VanDerWaalsContact O-CZ 3.3Å; G91-R436 PolarHBondContact O-NE 3.3Å; D93-R436 WeakPolarHBondContact O-CD 3.43Å; D93-R436 PolarHBondContact O-NH1 3.32Å; V95-R436 CarbonylContact O-C 3.55Å; V95-R436 VanDerWaalsContact O-CA 3.27Å; V95-R436 WeakPolarHBondContact O-CA 3.27Å; R436-T745 CarbonylContact O-C 3.48Å; R436-T745 WeakPolarHBondContact O-CA 3.16Å; R436-I746 PolarHBondContact N-O 3.24Å; R436-I746 PolarHBondContact O-N 3.34Å; R436-D748 IonicContact CZ-OD2 3.66Å; R436-D748 IonicContact NH2-OD1 2.83Å; R436-D748 IonicContact NH2-OD2 2.64Å; R436-D748 PolarHBondContact NH2-OD2 2.97Å
437	I	97.7	Very high	93.9	Very high	36 Å²	36	53.4 Å²	53.4	19%	0.185	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	116.3	172.1	-56.9	170.4	0	0	0	108.2	G94 V95 V97 L736 P742	G94-I437 CarbonylContact C-O 3.55Å; G94-I437 VanDerWaalsContact CA-O 3.29Å; G94-I437 WeakPolarHBondContact CA-O 3.39Å; V95-I437 PolarHBondContact N-O 3.45Å; V95-I437 PolarHBondContact O-N 3.34Å; V97-I437 HydrophobicContact CG1-CD1 3.57Å; V97-I437 HydrophobicContact CG1-CG1 4.01Å; V97-I437 HydrophobicContact CG2-CD1 4.3Å; V97-I437 HydrophobicContact CG2-CG1 4.01Å; I437-L736 HydrophobicContact CD1-CD2 4.42Å; I437-P742 HydrophobicContact CD1-CG 3.57Å; I437-P742 HydrophobicContact CG1-CG 4.22Å; I437-P742 HydrophobicContact CG2-CG 4.41Å
438	I	95.9	Very high	93.8	Very high	13 Å²	13	53.9 Å²	53.9	7%	0.067	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-66	137.8	173	-61.4	-171.4	0	0	0	109.2	G744 I746 K792 Y795	I438-G744 PolarHBondContact N-O 2.97Å; I438-I746 HydrophobicContact CD1-CD1 3.37Å; I438-I746 HydrophobicContact CD1-CG1 4.36Å; I438-I746 HydrophobicContact CG1-CD1 3.85Å; I438-I746 HydrophobicContact CG1-CG1 4.45Å; I438-K792 HydrophobicContact CD1-CB 4.26Å; I438-K792 HydrophobicContact CG2-CG 4.48Å; I438-Y795 HydrophobicContact CB-CD1 4.13Å; I438-Y795 HydrophobicContact CB-CE1 4.42Å; I438-Y795 HydrophobicContact CD1-CD1 4.48Å; I438-Y795 HydrophobicContact CG2-CD1 3.92Å; I438-Y795 HydrophobicContact CG2-CE1 4.36Å
439	G	93.8	Very high	94.1	Very high	46 Å²	46	52.6 Å²	52.6	47%	0.474	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-56.3	157.4	175.4	0	0	0	0	0	113.6	Q441	G439-Q441 PolarHBondContact O-NE2 2.92Å
440	Q	95.4	Very high	94.5	Very high	99 Å²	99	47.1 Å²	47.1	46%	0.463	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-58.2	146.2	178.9	-62.9	178	7.3	0	0	111.2
441	Q	96.3	Very high	94.8	Very high	15 Å²	15	49.3 Å²	49.3	7%	0.07	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-102	146.9	178.5	-55	-60.1	-62.7	0	0	110.4	G439 A452 I601 Y795 K796	G439-Q441 PolarHBondContact O-NE2 2.92Å; Q441-A452 WeakPolarHBondContact O-CB 3.47Å; Q441-A452 PolarHBondContact O-N 3.1Å; Q441-I601 HydrophobicContact CB-CD1 3.52Å; Q441-I601 HydrophobicContact CG-CD1 4.47Å; Q441-Y795 HydrophobicContact CG-CD1 4.01Å; Q441-Y795 HydrophobicContact CG-CE1 3.95Å; Q441-K796 HydrophobicContact CG-CG 4.44Å; Q441-K796 VanDerWaalsContact OE1-CG 3.3Å
442	N	96.6	Very high	94.9	Very high	49 Å²	49	48.4 Å²	48.4	26%	0.262	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	126.5	177.7	-66.6	-45.8	0	0	0	111.5	K449 V450 I601 E602	N442-K449 HydrophobicContact CB-CB 4.42Å; N442-K449 HydrophobicContact CB-CD 4.23Å; N442-K449 HydrophobicContact CB-CG 4.5Å; N442-V450 CarbonylContact C-O 3.56Å; N442-V450 WeakPolarHBondContact CA-O 3.48Å; N442-I601 WeakPolarHBondContact O-CD1 3.08Å; N442-E602 PolarHBondContact ND2-OE2 3.27Å; N442-E602 VanDerWaalsContact ND2-OE2 3.09Å
443	I	97.3	Very high	95	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	120	174.4	-50	-56.2	0	0	0	108.6	F445 K449 V450 A452 W458 W599 I601 H799	I443-F445 HydrophobicContact CB-CE2 4.16Å; I443-F445 HydrophobicContact CG2-CD2 4.27Å; I443-F445 HydrophobicContact CG2-CE2 3.6Å; I443-F445 HydrophobicContact CG2-CZ 4.02Å; I443-K449 CarbonylContact O-C 3.58Å; I443-K449 WeakPolarHBondContact O-CA 3.45Å; I443-V450 HydrophobicContact CB-CG2 4.12Å; I443-V450 PolarHBondContact N-O 3.11Å; I443-V450 PolarHBondContact O-N 3.28Å; I443-A452 HydrophobicContact CD1-CB 4.39Å; I443-A452 HydrophobicContact CG1-CB 4.29Å; I443-W458 HydrophobicContact CD1-CD2 4.01Å; I443-W458 HydrophobicContact CD1-CE3 3.9Å; I443-W458 HydrophobicContact CD1-CH2 3.89Å; I443-W458 HydrophobicContact CD1-CZ2 4.01Å; I443-W458 HydrophobicContact CD1-CZ3 3.84Å; I443-W458 HydrophobicContact CG1-CB 4.48Å; I443-W458 HydrophobicContact CG1-CD2 3.72Å; I443-W458 HydrophobicContact CG1-CE3 3.87Å; I443-W458 HydrophobicContact CG1-CG 3.99Å; I443-W458 HydrophobicContact CG1-CZ3 4.33Å; I443-W458 HydrophobicContact CG2-CG 4.46Å; I443-W599 HydrophobicContact CG2-CB 3.64Å; I443-W599 HydrophobicContact CG2-CG 3.79Å; I443-I601 HydrophobicContact CD1-CD1 4.23Å; I443-H799 HydrophobicContact CD1-CB 4.28Å
444	V	96.8	Very high	94.7	Very high	38 Å²	38	52 Å²	52	23%	0.23	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.3	-176.3	-173.3	0	0	0	0	109.8	K449 L468 W599 M600 E602	V444-K449 HydrophobicContact CG2-CB 4.35Å; V444-L468 HydrophobicContact CG1-CD1 4.04Å; V444-W599 CarbonylContact O-C 3.3Å; V444-W599 VanDerWaalsContact O-CA 3.28Å; V444-W599 WeakPolarHBondContact O-CA 3.42Å; V444-M600 HydrophobicContact CB-CB 4.35Å; V444-M600 PolarHBondContact N-O 3.39Å; V444-M600 PolarHBondContact O-N 2.91Å; V444-E602 HydrophobicContact CG2-CG 4.06Å
445	F	96.3	Very high	94.5	Very high	3 Å²	3	50.7 Å²	50.7	1%	0.013	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-178	175.1	-73.3	-84.4	0	0	0	109.6	I443 N447 G448 V450 F462 Q465 R466 L468 W599	I443-F445 HydrophobicContact CB-CE2 4.16Å; I443-F445 HydrophobicContact CG2-CD2 4.27Å; I443-F445 HydrophobicContact CG2-CE2 3.6Å; I443-F445 HydrophobicContact CG2-CZ 4.02Å; F445-N447 PolarHBondContact O-N 2.83Å; F445-G448 PolarHBondContact N-O 2.81Å; F445-V450 HydrophobicContact CD2-CG2 4.14Å; F445-V450 HydrophobicContact CE2-CG2 3.66Å; F445-F462 AromaticContact CE1-CD1 3.76Å; F445-F462 HydrophobicContact CE1-CD1 3.76Å; F445-F462 AromaticContact CE1-CE1 3.39Å; F445-F462 HydrophobicContact CE1-CE1 3.39Å; F445-F462 HydrophobicContact CE1-CG 4.47Å; F445-F462 AromaticContact CE1-CZ 3.78Å; F445-F462 HydrophobicContact CE1-CZ 3.78Å; F445-F462 HydrophobicContact CZ-CD1 4.27Å; F445-F462 AromaticContact CZ-CE1 3.84Å; F445-F462 HydrophobicContact CZ-CE1 3.84Å; F445-F462 HydrophobicContact CZ-CE2 4.2Å; F445-F462 AromaticContact CZ-CZ 3.73Å; F445-F462 HydrophobicContact CZ-CZ 3.73Å; F445-Q465 HydrophobicContact CB-CB 4.4Å; F445-Q465 HydrophobicContact CD1-CB 3.91Å; F445-Q465 HydrophobicContact CD2-CB 4.35Å; F445-Q465 HydrophobicContact CD2-CG 4.35Å; F445-Q465 HydrophobicContact CE1-CB 4.21Å; F445-Q465 HydrophobicContact CG-CB 3.96Å; F445-Q465 HydrophobicContact CG-CG 4.38Å; F445-R466 WeakPolarHBondContact CB-O 3.02Å; F445-R466 WeakPolarHBondContact CD1-O 3.41Å; F445-L468 WeakPolarHBondContact O-CD1 3.4Å; F445-W599 HydrophobicContact CE1-CB 4.19Å; F445-W599 HydrophobicContact CZ-CB 4.33Å
446	H	93.9	Very high	94.4	Very high	110 Å²	110	50.8 Å²	50.8	51%	0.509	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-45.2	-178.6	-174.1	64.9	0	0	0	112.2	R466 M467 L468	H446-R466 HydrophobicContact CB-CB 4.21Å; H446-R466 PolarHBondContact N-O 2.77Å; H446-M467 WeakPolarHBondContact CB-O 3.22Å; H446-L468 PolarHBondContact ND1-O 3.14Å
447	N	87.6	Confident	94.2	Very high	108 Å²	108	51.9 Å²	51.9	58%	0.578	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	58.3	-175.5	-66.4	-19.5	0	0	0	111.5	F445	F445-N447 PolarHBondContact O-N 2.83Å
448	G	90.7	Very high	94.1	Very high	41 Å²	41	50.1 Å²	50.1	42%	0.423	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	120	-162.9	173.2	0	0	0	0	0	113.9	F445	F445-G448 PolarHBondContact N-O 2.81Å
449	K	94.4	Very high	93.9	Very high	119 Å²	119	52.1 Å²	52.1	52%	0.517	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	149.4	-175.2	64.5	-169.9	-177.9	-175.1	0	111	N442 I443 V444 E602	N442-K449 HydrophobicContact CB-CB 4.42Å; N442-K449 HydrophobicContact CB-CD 4.23Å; N442-K449 HydrophobicContact CB-CG 4.5Å; I443-K449 CarbonylContact O-C 3.58Å; I443-K449 WeakPolarHBondContact O-CA 3.45Å; V444-K449 HydrophobicContact CG2-CB 4.35Å; K449-E602 WeakPolarHBondContact CD-OE1 3.47Å; K449-E602 IonicContact NZ-OE1 3.77Å; K449-E602 PolarHBondContact NZ-OE1 2.91Å
450	V	95.6	Very high	93.6	Very high	16 Å²	16	59.8 Å²	59.8	10%	0.097	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	145.7	178.8	-59.5	0	0	0	0	110	N442 I443 F445 H461	N442-V450 CarbonylContact C-O 3.56Å; N442-V450 WeakPolarHBondContact CA-O 3.48Å; I443-V450 HydrophobicContact CB-CG2 4.12Å; I443-V450 PolarHBondContact N-O 3.11Å; I443-V450 PolarHBondContact O-N 3.28Å; F445-V450 HydrophobicContact CD2-CG2 4.14Å; F445-V450 HydrophobicContact CE2-CG2 3.66Å; V450-H461 HydrophobicContact CG2-CB 4.03Å
451	P	95.4	Very high	93.3	Very high	63 Å²	63	58.5 Å²	58.5	41%	0.409	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	146.7	172.7	29.1	-34.2	0	0	0	110.5	G453	P451-G453 PolarHBondContact O-N 2.87Å
452	A	94.3	Very high	92.7	Very high	3 Å²	3	58 Å²	58	3%	0.025	30%	0.298	C	S	.	.			trans	-67.1	-16.5	175.3	0	0	0	0	0	113.7	Q441 I443 A456 D457 W458	Q441-A452 WeakPolarHBondContact O-CB 3.47Å; Q441-A452 PolarHBondContact O-N 3.1Å; I443-A452 HydrophobicContact CD1-CB 4.39Å; I443-A452 HydrophobicContact CG1-CB 4.29Å; A452-A456 WeakPolarHBondContact O-CA 3.43Å; A452-D457 PolarHBondContact O-N 3.31Å; A452-W458 HydrophobicContact CB-CE3 3.89Å; A452-W458 HydrophobicContact CB-CZ3 4.11Å
453	G	92.9	Very high	92	Very high	28 Å²	28	65 Å²	65	29%	0.289	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	172.9	-176.5	0	0	0	0	0	113.7	P451 N455 A456	P451-G453 PolarHBondContact O-N 2.87Å; G453-N455 VanDerWaalsContact C-N 3.26Å; G453-N455 PolarHBondContact O-N 2.92Å; G453-A456 PolarHBondContact O-N 3.36Å
454	E	89.1	Confident	91.2	Very high	157 Å²	157	71.6 Å²	71.6	73%	0.734	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-35.5	-175.8	-63	-178.7	168.4	0	0	112.9	A456	E454-A456 VanDerWaalsContact C-N 3.29Å; E454-A456 PolarHBondContact O-N 3.49Å
455	N	89.9	Confident	90.9	Very high	99 Å²	99	71.9 Å²	71.9	53%	0.529	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-2.4	179.3	-74.7	-34	0	0	0	113.1	G453 D457 Q765	G453-N455 VanDerWaalsContact C-N 3.26Å; G453-N455 PolarHBondContact O-N 2.92Å; N455-D457 VanDerWaalsContact C-N 3.26Å; N455-D457 PolarHBondContact O-N 2.94Å; N455-Q765 WeakPolarHBondContact O-CG 3.07Å; N455-Q765 PolarHBondContact O-NE2 3.46Å; N455-Q765 PolarHBondContact OD1-OE1 2.67Å
456	A	95.2	Very high	90.8	Very high	2 Å²	2	78.5 Å²	78.5	2%	0.017	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	45.7	-176.4	0	0	0	0	0	113.1	A452 G453 E454 P743 G806 T807	A452-A456 WeakPolarHBondContact O-CA 3.43Å; G453-A456 PolarHBondContact O-N 3.36Å; E454-A456 VanDerWaalsContact C-N 3.29Å; E454-A456 PolarHBondContact O-N 3.49Å; A456-P743 HydrophobicContact CB-CB 3.68Å; A456-P743 HydrophobicContact CB-CG 3.87Å; A456-G806 CarbonylContact O-C 3.48Å; A456-G806 WeakPolarHBondContact O-CA 3.18Å; A456-T807 HydrophobicContact CB-CG2 3.77Å; A456-T807 WeakPolarHBondContact CB-OG1 3.37Å; A456-T807 PolarHBondContact O-N 2.66Å; A456-T807 VanDerWaalsContact O-N 3.08Å
457	D	94.2	Very high	91	Very high	44 Å²	44	73.4 Å²	73.4	24%	0.235	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-133.5	118.1	177.6	-177.6	-48.6	0	0	0	108.3	A452 N455 Q459	A452-D457 PolarHBondContact O-N 3.31Å; N455-D457 VanDerWaalsContact C-N 3.26Å; N455-D457 PolarHBondContact O-N 2.94Å; D457-Q459 VanDerWaalsContact OD1-CB 3.3Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.38Å; D457-Q459 PolarHBondContact OD1-N 2.88Å
458	W	94.7	Very high	91.4	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.336	C	S	.	.			trans	-114.9	21.2	-177	55.5	93.7	0	0	0	112.3	I443 A452 R460 H461 F462 W599 H799 S805 G806 T807	I443-W458 HydrophobicContact CD1-CD2 4.01Å; I443-W458 HydrophobicContact CD1-CE3 3.9Å; I443-W458 HydrophobicContact CD1-CH2 3.89Å; I443-W458 HydrophobicContact CD1-CZ2 4.01Å; I443-W458 HydrophobicContact CD1-CZ3 3.84Å; I443-W458 HydrophobicContact CG1-CB 4.48Å; I443-W458 HydrophobicContact CG1-CD2 3.72Å; I443-W458 HydrophobicContact CG1-CE3 3.87Å; I443-W458 HydrophobicContact CG1-CG 3.99Å; I443-W458 HydrophobicContact CG1-CZ3 4.33Å; I443-W458 HydrophobicContact CG2-CG 4.46Å; A452-W458 HydrophobicContact CB-CE3 3.89Å; A452-W458 HydrophobicContact CB-CZ3 4.11Å; W458-R460 PolarHBondContact O-N 3.12Å; W458-R460 VanDerWaalsContact O-N 3.12Å; W458-H461 PolarHBondContact O-N 3.05Å; W458-F462 AromaticContact CD1-CE2 3.38Å; W458-F462 AromaticContact CD1-CZ 3.79Å; W458-F462 AromaticContact NE1-CE2 3.81Å; W458-F462 AromaticContact NE1-CZ 3.88Å; W458-W599 AromaticContact CE2-CE2 3.99Å; W458-W599 AromaticContact CZ2-CE2 3.71Å; W458-W599 AromaticContact CZ2-CZ2 3.78Å; W458-W599 HydrophobicContact CZ2-CZ2 3.78Å; W458-W599 AromaticContact CZ2-NE1 3.52Å; W458-W599 AromaticContact NE1-CD2 3.81Å; W458-W599 AromaticContact NE1-CE2 3.64Å; W458-W599 AromaticContact NE1-CZ2 3.87Å; W458-W599 AromaticContact NE1-NE1 3.97Å; W458-H799 HydrophobicContact CH2-CB 3.89Å; W458-H799 AromaticContact CH2-CD2 3.81Å; W458-H799 WeakPolarHBondContact CZ2-O 3.41Å; W458-H799 AromaticContact CZ3-CD2 3.66Å; W458-S805 PolarHBondContact N-O 3.38Å; W458-G806 VanDerWaalsContact CH2-O 3.3Å; W458-G806 WeakPolarHBondContact CH2-O 3.49Å; W458-G806 VanDerWaalsContact CZ3-C 3.48Å; W458-T807 HydrophobicContact CZ3-CG2 4.47Å
459	Q	90.8	Very high	91.7	Very high	55 Å²	55	70 Å²	70	26%	0.257	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-55.9	-35.5	-177.8	-164.5	-173.3	-52.1	0	0	112.3	D457 H461 S581 S805	D457-Q459 VanDerWaalsContact OD1-CB 3.3Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.38Å; D457-Q459 PolarHBondContact OD1-N 2.88Å; Q459-H461 VanDerWaalsContact C-N 3.3Å; Q459-H461 PolarHBondContact O-N 3.48Å; Q459-S581 PolarHBondContact NE2-OG 3.38Å; Q459-S805 WeakPolarHBondContact CB-OG 3.29Å; Q459-S805 WeakPolarHBondContact CG-OG 2.99Å
460	R	87.8	Confident	91.7	Very high	206 Å²	206	66.5 Å²	66.5	78%	0.777	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-68.8	-28.9	-177.4	-63.5	-178.4	-178.9	-175.8	-0.2	112.5	W458 F462 R463	W458-R460 PolarHBondContact O-N 3.12Å; W458-R460 VanDerWaalsContact O-N 3.12Å; R460-F462 VanDerWaalsContact C-N 3.3Å; R460-F462 PolarHBondContact O-N 3.03Å; R460-R463 PolarHBondContact O-N 2.88Å
461	H	89.3	Confident	91.7	Very high	73 Å²	73	66.3 Å²	66.3	34%	0.338	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-71.6	-20.7	-176.5	-66.2	-66.8	0	0	0	113.5	V450 W458 Q459 R463 D464 Q465	V450-H461 HydrophobicContact CG2-CB 4.03Å; W458-H461 PolarHBondContact O-N 3.05Å; Q459-H461 VanDerWaalsContact C-N 3.3Å; Q459-H461 PolarHBondContact O-N 3.48Å; H461-R463 PolarHBondContact O-N 3.42Å; H461-D464 PolarHBondContact O-N 2.97Å; H461-Q465 VanDerWaalsContact O-CB 3.26Å; H461-Q465 WeakPolarHBondContact O-CB 3.46Å; H461-Q465 WeakPolarHBondContact O-CG 3.36Å; H461-Q465 PolarHBondContact O-N 3.45Å
462	F	85.1	Confident	91.4	Very high	4 Å²	4	68.1 Å²	68.1	2%	0.018	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-66.7	-12.6	175.2	-70.4	-86.8	0	0	0	114.5	F445 W458 R460 D464 M504 T584 I588 W599	F445-F462 AromaticContact CE1-CD1 3.76Å; F445-F462 HydrophobicContact CE1-CD1 3.76Å; F445-F462 AromaticContact CE1-CE1 3.39Å; F445-F462 HydrophobicContact CE1-CE1 3.39Å; F445-F462 HydrophobicContact CE1-CG 4.47Å; F445-F462 AromaticContact CE1-CZ 3.78Å; F445-F462 HydrophobicContact CE1-CZ 3.78Å; F445-F462 HydrophobicContact CZ-CD1 4.27Å; F445-F462 AromaticContact CZ-CE1 3.84Å; F445-F462 HydrophobicContact CZ-CE1 3.84Å; F445-F462 HydrophobicContact CZ-CE2 4.2Å; F445-F462 AromaticContact CZ-CZ 3.73Å; F445-F462 HydrophobicContact CZ-CZ 3.73Å; W458-F462 AromaticContact CD1-CE2 3.38Å; W458-F462 AromaticContact CD1-CZ 3.79Å; W458-F462 AromaticContact NE1-CE2 3.81Å; W458-F462 AromaticContact NE1-CZ 3.88Å; R460-F462 VanDerWaalsContact C-N 3.3Å; R460-F462 PolarHBondContact O-N 3.03Å; F462-D464 VanDerWaalsContact C-N 3.3Å; F462-M504 HydrophobicContact CB-SD 4.3Å; F462-M504 HydrophobicContact CD1-SD 4.15Å; F462-T584 HydrophobicContact CB-CG2 4.38Å; F462-I588 HydrophobicContact CD1-CD1 3.77Å; F462-I588 HydrophobicContact CD1-CG1 4.4Å; F462-I588 HydrophobicContact CD2-CD1 4.41Å; F462-I588 HydrophobicContact CE1-CD1 3.86Å; F462-I588 HydrophobicContact CE1-CG1 4.46Å; F462-I588 HydrophobicContact CE2-CD1 4.49Å; F462-I588 HydrophobicContact CG-CD1 4.08Å; F462-I588 HydrophobicContact CZ-CD1 4.28Å; F462-W599 AromaticContact CE1-CE3 3.62Å; F462-W599 HydrophobicContact CE1-CE3 3.62Å; F462-W599 AromaticContact CE1-CZ3 3.93Å; F462-W599 HydrophobicContact CE1-CZ3 3.93Å; F462-W599 HydrophobicContact CE2-CE3 4.32Å; F462-W599 HydrophobicContact CE2-CZ3 4.23Å; F462-W599 HydrophobicContact CZ-CD2 4.02Å; F462-W599 AromaticContact CZ-CE3 3.18Å; F462-W599 HydrophobicContact CZ-CE3 3.18Å; F462-W599 HydrophobicContact CZ-CH2 4.32Å; F462-W599 AromaticContact CZ-CZ3 3.37Å; F462-W599 HydrophobicContact CZ-CZ3 3.37Å
463	R	80.1	Confident	91.1	Very high	196 Å²	196	72.2 Å²	72.2	74%	0.74	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-68.4	-34.7	178.1	-68	-178.2	178.5	-173.5	-1.6	111.9	R460 H461	R460-R463 PolarHBondContact O-N 2.88Å; H461-R463 PolarHBondContact O-N 3.42Å
464	D	81	Confident	91.2	Very high	138 Å²	138	70.9 Å²	70.9	74%	0.738	34%	0.339	S	S	*	.	S	Bend	trans	-117.9	7.4	-170.9	-47.2	-47	0	0	0	111.9	H461 F462	H461-D464 PolarHBondContact O-N 2.97Å; F462-D464 VanDerWaalsContact C-N 3.3Å
465	Q	90.3	Very high	91.5	Very high	44 Å²	44	63.4 Å²	63.4	21%	0.206	30%	0.304	C	S	.	.			trans	-125.3	137.6	-175.1	-66.9	-64.5	-32.5	0	0	111.6	F445 H461	F445-Q465 HydrophobicContact CB-CB 4.4Å; F445-Q465 HydrophobicContact CD1-CB 3.91Å; F445-Q465 HydrophobicContact CD2-CB 4.35Å; F445-Q465 HydrophobicContact CD2-CG 4.35Å; F445-Q465 HydrophobicContact CE1-CB 4.21Å; F445-Q465 HydrophobicContact CG-CB 3.96Å; F445-Q465 HydrophobicContact CG-CG 4.38Å; H461-Q465 VanDerWaalsContact O-CB 3.26Å; H461-Q465 WeakPolarHBondContact O-CB 3.46Å; H461-Q465 WeakPolarHBondContact O-CG 3.36Å; H461-Q465 PolarHBondContact O-N 3.45Å
466	R	95.4	Very high	91.5	Very high	143 Å²	143	61.1 Å²	61.1	54%	0.54	29%	0.292	S	S	.	.			trans	-81.1	139.6	170.2	-65.9	-176.1	179.3	-175.6	1.2	110.3	F445 H446 M504	F445-R466 WeakPolarHBondContact CB-O 3.02Å; F445-R466 WeakPolarHBondContact CD1-O 3.41Å; H446-R466 HydrophobicContact CB-CB 4.21Å; H446-R466 PolarHBondContact N-O 2.77Å; R466-M504 CarbonylContact C-O 3.59Å; R466-M504 WeakPolarHBondContact CA-O 3.39Å
467	M	96.6	Very high	91.6	Very high	2 Å²	2	66.8 Å²	66.8	1%	0.01	31%	0.313	C	S	.	.			trans	-56.1	144.6	173.4	-79.6	-174.6	-65.4	0	0	111	H446 T469 T470 M504 L506 I588 N591 P598	H446-M467 WeakPolarHBondContact CB-O 3.22Å; M467-T469 VanDerWaalsContact C-N 3.34Å; M467-T469 PolarHBondContact O-N 3.13Å; M467-T470 HydrophobicContact CB-CG2 3.99Å; M467-T470 HydrophobicContact CE-CG2 4Å; M467-M504 HydrophobicContact CE-CB 4.01Å; M467-M504 HydrophobicContact CG-CB 4.22Å; M467-M504 PolarHBondContact N-O 3.01Å; M467-L506 HydrophobicContact CE-CB 3.66Å; M467-L506 HydrophobicContact CE-CD2 4.37Å; M467-I588 HydrophobicContact SD-CG1 4.17Å; M467-N591 HydrophobicContact CE-CB 3.7Å; M467-N591 HydrophobicContact SD-CB 3.76Å; M467-N591 PolarHBondContact SD-ND2 3.2Å; M467-N591 VanDerWaalsContact SD-ND2 3.44Å; M467-P598 CarbonylContact C-O 3.53Å; M467-P598 VanDerWaalsContact CA-O 3.29Å; M467-P598 WeakPolarHBondContact CA-O 3.47Å; M467-P598 HydrophobicContact CG-CB 3.93Å; M467-P598 HydrophobicContact SD-CB 3.81Å; M467-P598 HydrophobicContact SD-CG 4.11Å
468	L	96.7	Very high	91.8	Very high	31 Å²	31	65 Å²	65	16%	0.162	30%	0.303	C	S	.	.	S	Bend	trans	-53.3	-47.4	-173.9	-178.6	74.3	0	0	0	113.5	V444 F445 H446 T597 P598 M600	V444-L468 HydrophobicContact CG1-CD1 4.04Å; F445-L468 WeakPolarHBondContact O-CD1 3.4Å; H446-L468 PolarHBondContact ND1-O 3.14Å; L468-T597 WeakPolarHBondContact CB-O 3.29Å; L468-T597 HydrophobicContact CD2-CG2 4.02Å; L468-P598 PolarHBondContact N-O 3.05Å; L468-M600 HydrophobicContact CD2-CB 3.43Å; L468-M600 VanDerWaalsContact CD2-CB 3.43Å; L468-M600 HydrophobicContact CD2-CG 4.45Å
469	T	96.2	Very high	91.9	Very high	47 Å²	47	65 Å²	65	29%	0.288	30%	0.303	S	S	.	.			trans	-133.9	140.4	175.5	58.9	0	0	0	0	109.8	M467 N591 T597	M467-T469 VanDerWaalsContact C-N 3.34Å; M467-T469 PolarHBondContact O-N 3.13Å; T469-N591 PolarHBondContact O-ND2 3.22Å; T469-T597 PolarHBondContact N-O 3.1Å; T469-T597 WeakPolarHBondContact OG1-CA 3.33Å; T469-T597 WeakPolarHBondContact OG1-CB 3.27Å; T469-T597 PolarHBondContact OG1-N 3.46Å; T469-T597 PolarHBondContact OG1-O 3.08Å; T469-T597 VanDerWaalsContact OG1-O 3.07Å
470	T	95.7	Very high	92.3	Very high	45 Å²	45	62.3 Å²	62.3	28%	0.276	29%	0.291	S	S	.	.			trans	-142.9	150.3	177.6	51.2	0	0	0	0	108.7	M467 S472 L506	M467-T470 HydrophobicContact CB-CG2 3.99Å; M467-T470 HydrophobicContact CE-CG2 4Å; T470-S472 PolarHBondContact O-N 2.87Å; T470-L506 HydrophobicContact CG2-CB 4.42Å
471	P	95	Very high	92.8	Very high	12 Å²	12	52.5 Å²	52.5	8%	0.078	25%	0.254	C	S	.	.			trans	-59.9	131.1	173.7	21.9	-29	0	0	0	110.4	D473 G474 L506 N591 L594 Y596	P471-D473 PolarHBondContact O-N 3.36Å; P471-G474 WeakPolarHBondContact O-CA 3.38Å; P471-G474 PolarHBondContact O-N 3.42Å; P471-L506 HydrophobicContact CG-CD1 4.01Å; P471-N591 WeakPolarHBondContact CD-OD1 3.31Å; P471-L594 HydrophobicContact CG-CD1 4.24Å; P471-Y596 VanDerWaalsContact CA-CZ 3.43Å; P471-Y596 HydrophobicContact CB-CD2 4.32Å; P471-Y596 HydrophobicContact CB-CE1 4.19Å; P471-Y596 HydrophobicContact CB-CE2 3.61Å; P471-Y596 HydrophobicContact CG-CD2 4.19Å; P471-Y596 HydrophobicContact CG-CE2 3.94Å
472	S	90.4	Very high	93.2	Very high	102 Å²	102	49 Å²	49	71%	0.713	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-39.9	175.4	49.3	0	0	0	0	112	T470 G474 R507	T470-S472 PolarHBondContact O-N 2.87Å; S472-G474 PolarHBondContact O-N 2.65Å; S472-R507 PolarHBondContact O-NH2 2.84Å
473	D	87.8	Confident	93.8	Very high	88 Å²	88	49 Å²	49	47%	0.471	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-17.9	176.7	-59.4	-28.6	0	0	0	112.4	P471 R507 K537	P471-D473 PolarHBondContact O-N 3.36Å; D473-R507 VanDerWaalsContact C-NH2 3.28Å; D473-R507 PolarHBondContact O-NE 3.43Å; D473-R507 PolarHBondContact O-NH2 3.28Å; D473-K537 IonicContact OD2-NZ 2.88Å
474	G	93.4	Very high	94.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.228	C	C	.	.			trans	72	-161.4	-167.8	0	0	0	0	0	112.3	P471 S472 D476 R507	P471-G474 WeakPolarHBondContact O-CA 3.38Å; P471-G474 PolarHBondContact O-N 3.42Å; S472-G474 PolarHBondContact O-N 2.65Å; G474-D476 PolarHBondContact O-N 3.41Å; G474-R507 CarbonylContact C-O 3.55Å; G474-R507 WeakPolarHBondContact CA-O 3.44Å
475	L	95.6	Very high	95.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-92.7	81.4	167.9	-169.5	57.6	0	0	0	108.5	W478 R507 I508 R509 K537 L538 L590 L594	L475-W478 HydrophobicContact CD1-CB 3.77Å; L475-W478 HydrophobicContact CD1-CG 4.07Å; L475-W478 HydrophobicContact CD2-CB 4.18Å; L475-W478 HydrophobicContact CD2-CD2 3.71Å; L475-W478 HydrophobicContact CD2-CE3 4.15Å; L475-W478 HydrophobicContact CD2-CG 3.75Å; L475-W478 HydrophobicContact CG-CB 3.86Å; L475-W478 HydrophobicContact CG-CD2 4.07Å; L475-W478 HydrophobicContact CG-CG 3.57Å; L475-R507 PolarHBondContact N-O 2.83Å; L475-I508 HydrophobicContact CB-CG1 4.18Å; L475-I508 HydrophobicContact CB-CG2 4.42Å; L475-I508 HydrophobicContact CD2-CG2 4.35Å; L475-R509 PolarHBondContact O-N 3.39Å; L475-K537 HydrophobicContact CD1-CB 4.01Å; L475-L538 HydrophobicContact CD1-CB 4.2Å; L475-L590 HydrophobicContact CD2-CD1 4.46Å; L475-L594 HydrophobicContact CB-CD1 4.44Å; L475-L594 HydrophobicContact CD1-CD1 3.92Å; L475-L594 HydrophobicContact CD1-CD2 3.89Å; L475-L594 HydrophobicContact CD1-CG 4.5Å
476	D	91.6	Very high	95.5	Very high	51 Å²	51	44.4 Å²	44.4	27%	0.273	21%	0.214	S	C	.	.			trans	-86.6	-37.5	-174.6	61.1	-22.6	0	0	0	113.7	G474 K537	G474-D476 PolarHBondContact O-N 3.41Å; D476-K537 VanDerWaalsContact CG-NZ 3.26Å; D476-K537 VanDerWaalsContact OD1-CD 3.22Å; D476-K537 WeakPolarHBondContact OD1-CD 3.22Å; D476-K537 WeakPolarHBondContact OD1-CE 3.03Å; D476-K537 IonicContact OD1-NZ 3.6Å; D476-K537 PolarHBondContact OD1-NZ 3.33Å; D476-K537 IonicContact OD2-NZ 2.87Å; D476-K537 PolarHBondContact OD2-NZ 3.21Å
477	R	95.7	Very high	95.4	Very high	122 Å²	122	39 Å²	39	46%	0.46	20%	0.198	S	C	.	.	S	Bend	trans	-125.2	103.9	179.5	-168.6	172.5	70.3	-172.8	-1	110.2	S534 D535 K537	R477-S534 WeakPolarHBondContact CD-O 3.25Å; R477-S534 PolarHBondContact NE-O 3.3Å; R477-S534 VanDerWaalsContact NE-O 3.16Å; R477-D535 PolarHBondContact NE-O 2.87Å; R477-D535 PolarHBondContact NH2-O 2.86Å; R477-K537 WeakPolarHBondContact O-CB 3.36Å; R477-K537 PolarHBondContact O-N 3.3Å
478	W	97.9	Very high	95.4	Very high	5 Å²	5	45.6 Å²	45.6	2%	0.019	23%	0.228	C	C	.	.			trans	-156.4	166	179.7	69.7	-63.9	0	0	0	109.8	L475 V480 L494 L497 Y498 I508 R509 P511 Q512 L538 L540	L475-W478 HydrophobicContact CD1-CB 3.77Å; L475-W478 HydrophobicContact CD1-CG 4.07Å; L475-W478 HydrophobicContact CD2-CB 4.18Å; L475-W478 HydrophobicContact CD2-CD2 3.71Å; L475-W478 HydrophobicContact CD2-CE3 4.15Å; L475-W478 HydrophobicContact CD2-CG 3.75Å; L475-W478 HydrophobicContact CG-CB 3.86Å; L475-W478 HydrophobicContact CG-CD2 4.07Å; L475-W478 HydrophobicContact CG-CG 3.57Å; W478-V480 HydrophobicContact CE3-CG2 4.1Å; W478-V480 HydrophobicContact CH2-CG2 3.9Å; W478-V480 HydrophobicContact CZ3-CG2 3.5Å; W478-V480 VanDerWaalsContact CZ3-CG2 3.5Å; W478-L494 HydrophobicContact CH2-CD2 3.59Å; W478-L494 HydrophobicContact CZ2-CD2 4.39Å; W478-L494 HydrophobicContact CZ3-CD2 4.42Å; W478-L497 HydrophobicContact CH2-CD2 4.15Å; W478-Y498 HydrophobicContact CZ2-CE1 4.12Å; W478-I508 HydrophobicContact CH2-CG2 4.41Å; W478-I508 HydrophobicContact CZ2-CG2 3.47Å; W478-I508 VanDerWaalsContact CZ2-CG2 3.47Å; W478-R509 PolarHBondContact NE1-O 3.41Å; W478-P511 HydrophobicContact CD2-CB 3.73Å; W478-P511 HydrophobicContact CE3-CB 4.04Å; W478-P511 HydrophobicContact CG-CB 4.27Å; W478-P511 HydrophobicContact CH2-CB 4.06Å; W478-P511 HydrophobicContact CH2-CG 3.98Å; W478-P511 HydrophobicContact CZ2-CB 3.72Å; W478-P511 HydrophobicContact CZ2-CG 3.73Å; W478-P511 HydrophobicContact CZ3-CB 4.2Å; W478-P511 HydrophobicContact CZ3-CG 4.49Å; W478-P511 WeakPolarHBondContact O-CA 3.21Å; W478-Q512 PolarHBondContact O-N 3.13Å; W478-L538 WeakPolarHBondContact CA-O 3.38Å; W478-L538 HydrophobicContact CB-CB 4.39Å; W478-L538 VanDerWaalsContact CB-O 3.29Å; W478-L538 WeakPolarHBondContact CB-O 3.34Å; W478-L538 HydrophobicContact CE3-CD2 4.33Å; W478-L540 HydrophobicContact CZ3-CB 4.07Å; W478-L540 HydrophobicContact CZ3-CD1 4.38Å
479	A	98.4	Very high	95.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	159.5	-175.5	0	0	0	0	0	112.6	Q512 F514 C531 L538 I539 L540	A479-Q512 CarbonylContact C-O 3.5Å; A479-Q512 VanDerWaalsContact CA-O 3.27Å; A479-Q512 WeakPolarHBondContact CA-O 3.39Å; A479-Q512 HydrophobicContact CB-CB 4.26Å; A479-F514 HydrophobicContact CB-CD2 4.29Å; A479-F514 HydrophobicContact CB-CE2 4.41Å; A479-C531 WeakPolarHBondContact CB-SG 3.01Å; A479-L538 PolarHBondContact N-O 2.88Å; A479-L538 VanDerWaalsContact N-O 3.08Å; A479-I539 CarbonylContact O-C 3.53Å; A479-I539 WeakPolarHBondContact O-CA 3.23Å; A479-L540 PolarHBondContact O-N 3.07Å
480	V	98.5	Very high	95.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.1	176.3	174.5	0	0	0	0	109.3	W478 L490 L494 P511 Q512 F514 L540	W478-V480 HydrophobicContact CE3-CG2 4.1Å; W478-V480 HydrophobicContact CH2-CG2 3.9Å; W478-V480 HydrophobicContact CZ3-CG2 3.5Å; W478-V480 VanDerWaalsContact CZ3-CG2 3.5Å; V480-L490 HydrophobicContact CG1-CD1 3.37Å; V480-L490 HydrophobicContact CG1-CD2 3.58Å; V480-L490 HydrophobicContact CG1-CG 4.05Å; V480-L494 HydrophobicContact CG2-CD2 4.09Å; V480-P511 HydrophobicContact CB-CB 4.35Å; V480-P511 HydrophobicContact CB-CG 4.31Å; V480-P511 HydrophobicContact CG2-CB 3.65Å; V480-P511 HydrophobicContact CG2-CG 3.56Å; V480-Q512 PolarHBondContact N-O 3.45Å; V480-F514 PolarHBondContact O-N 2.92Å; V480-L540 CarbonylContact C-O 3.57Å; V480-L540 VanDerWaalsContact CA-O 3.26Å; V480-L540 WeakPolarHBondContact CA-O 3.34Å; V480-L540 HydrophobicContact CG1-CD2 4.27Å; V480-L540 HydrophobicContact CG2-CB 4.24Å
481	I	98.5	Very high	95.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122.6	175.3	-55.4	171.6	0	0	0	108.5	F514 I516 Y524 A527 M528 I539 L540 C541 L542	I481-F514 WeakPolarHBondContact CA-O 3.37Å; I481-F514 HydrophobicContact CG1-CB 3.96Å; I481-I516 HydrophobicContact CG2-CD1 4.25Å; I481-I516 HydrophobicContact CG2-CG2 4.18Å; I481-Y524 HydrophobicContact CB-CD1 4.48Å; I481-Y524 HydrophobicContact CG2-CD1 3.74Å; I481-Y524 HydrophobicContact CG2-CE1 4.07Å; I481-A527 HydrophobicContact CD1-CB 4.06Å; I481-A527 HydrophobicContact CG1-CB 4.41Å; I481-A527 HydrophobicContact CG2-CB 3.95Å; I481-M528 HydrophobicContact CD1-CB 4.23Å; I481-M528 HydrophobicContact CD1-CG 3.39Å; I481-I539 HydrophobicContact CD1-CG2 3.74Å; I481-I539 HydrophobicContact CG1-CG2 4.09Å; I481-L540 PolarHBondContact N-O 3.42Å; I481-C541 WeakPolarHBondContact O-CA 3.35Å; I481-L542 PolarHBondContact O-N 3.03Å
482	A	98	Very high	95.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	150	-180	0	0	0	0	0	112.3	L490 F514 I515 I516 L542	A482-L490 HydrophobicContact CB-CD2 3.82Å; A482-F514 PolarHBondContact N-O 3.08Å; A482-I515 WeakPolarHBondContact O-CA 3.46Å; A482-I516 PolarHBondContact O-N 3.31Å; A482-L542 HydrophobicContact CB-CB 3.98Å; A482-L542 HydrophobicContact CB-CD2 4.31Å
483	P	96.8	Very high	95.9	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.013	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	144	171.9	-19.5	33.3	0	0	0	112.2	R485 N486 I516 D519 Y524	P483-R485 HydrophobicContact CB-CG 4.22Å; P483-R485 PolarHBondContact O-N 3.36Å; P483-R485 VanDerWaalsContact O-N 3.16Å; P483-N486 PolarHBondContact O-N 2.97Å; P483-I516 CarbonylContact C-O 3.57Å; P483-I516 VanDerWaalsContact CA-O 3.27Å; P483-I516 WeakPolarHBondContact CA-O 3.39Å; P483-I516 HydrophobicContact CB-CG1 4.43Å; P483-I516 HydrophobicContact CG-CG1 4.38Å; P483-D519 HydrophobicContact CG-CB 4.16Å; P483-Y524 WeakPolarHBondContact CD-OH 3.26Å; P483-Y524 VanDerWaalsContact CG-OH 3.32Å; P483-Y524 WeakPolarHBondContact CG-OH 3.19Å
484	Q	96.1	Very high	96.4	Very high	115 Å²	115	41.6 Å²	41.6	54%	0.537	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-52.2	-41.9	-178.6	-172.4	177.6	-2.1	0	0	113	N486 S487 I515 I516	Q484-N486 PolarHBondContact O-N 3.32Å; Q484-S487 WeakPolarHBondContact O-CB 3.43Å; Q484-S487 PolarHBondContact O-N 3Å; Q484-S487 PolarHBondContact O-OG 3.17Å; Q484-I515 VanDerWaalsContact CA-CG2 3.42Å; Q484-I515 HydrophobicContact CB-CG2 3.63Å; Q484-I515 HydrophobicContact CG-CG2 4.06Å; Q484-I516 PolarHBondContact N-O 2.89Å
485	R	95.8	Very high	96.5	Very high	159 Å²	159	45.8 Å²	45.8	60%	0.6	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-61.8	-14.4	178	71.3	-179.2	-175.9	-165.8	-6.2	114.8	P483 D519	P483-R485 HydrophobicContact CB-CG 4.22Å; P483-R485 PolarHBondContact O-N 3.36Å; P483-R485 VanDerWaalsContact O-N 3.16Å; R485-D519 IonicContact CZ-OD2 3.47Å; R485-D519 VanDerWaalsContact NH2-CG 3.34Å; R485-D519 IonicContact NH2-OD2 3.2Å; R485-D519 PolarHBondContact NH2-OD2 3.22Å
486	N	95.4	Very high	96.6	Very high	9 Å²	9	46.8 Å²	46.8	5%	0.048	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-113.5	15.6	-176.2	-62.9	122.3	0	0	0	113.2	P483 Q484 H488 E489 L490 L542 L571	P483-N486 PolarHBondContact O-N 2.97Å; Q484-N486 PolarHBondContact O-N 3.32Å; N486-H488 VanDerWaalsContact C-N 3.29Å; N486-H488 PolarHBondContact O-N 3.3Å; N486-E489 WeakPolarHBondContact CA-OE2 3.4Å; N486-E489 PolarHBondContact O-N 2.95Å; N486-L490 WeakPolarHBondContact O-CB 3.36Å; N486-L490 PolarHBondContact O-N 3.03Å; N486-L542 HydrophobicContact CB-CD2 4.11Å; N486-L571 HydrophobicContact CB-CD1 4.24Å; N486-L571 VanDerWaalsContact ND2-CD2 3.35Å; N486-L571 WeakPolarHBondContact ND2-CD2 3.37Å
487	S	94.4	Very high	96.8	Very high	29 Å²	29	44.4 Å²	44.4	20%	0.203	20%	0.201	C	C	.	.	H	α-helix	trans	-61.6	-35.1	-178.4	-56.4	0	0	0	0	112.8	Q484 L490 R491	Q484-S487 WeakPolarHBondContact O-CB 3.43Å; Q484-S487 PolarHBondContact O-N 3Å; Q484-S487 PolarHBondContact O-OG 3.17Å; S487-L490 PolarHBondContact O-N 3.22Å; S487-R491 WeakPolarHBondContact O-CG 3.43Å; S487-R491 PolarHBondContact O-N 2.81Å
488	H	95.6	Very high	96.9	Very high	141 Å²	141	40.9 Å²	40.9	65%	0.653	19%	0.188	S	C	*	.	H	α-helix	trans	-66.9	-48	177.7	179.7	72.1	0	0	0	112.1	N486 L490 R491 T492	N486-H488 VanDerWaalsContact C-N 3.29Å; N486-H488 PolarHBondContact O-N 3.3Å; H488-L490 PolarHBondContact O-N 3.26Å; H488-R491 PolarHBondContact O-N 3.37Å; H488-T492 PolarHBondContact O-N 2.96Å; H488-T492 VanDerWaalsContact O-N 3.12Å; H488-T492 PolarHBondContact O-OG1 2.92Å
489	E	96.4	Very high	96.7	Very high	32 Å²	32	49.7 Å²	49.7	15%	0.15	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-31.9	175.4	-68.6	95	156.9	0	0	112.5	N486 L493 L571 T574 K575	N486-E489 WeakPolarHBondContact CA-OE2 3.4Å; N486-E489 PolarHBondContact O-N 2.95Å; E489-L493 WeakPolarHBondContact O-CB 3.4Å; E489-L493 PolarHBondContact O-N 2.81Å; E489-L571 HydrophobicContact CB-CD1 3.78Å; E489-L571 HydrophobicContact CG-CD1 3.85Å; E489-T574 WeakPolarHBondContact CB-OG1 3.21Å; E489-K575 WeakPolarHBondContact OE1-CE 3.39Å; E489-K575 IonicContact OE1-NZ 3.97Å; E489-K575 PolarHBondContact OE1-NZ 2.93Å
490	L	96.8	Very high	96.5	Very high	1 Å²	1	50 Å²	50	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-63.3	-50.1	174.1	177.6	65.9	0	0	0	111.4	V480 A482 N486 S487 H488 T492 L493 L494 I515 L542	V480-L490 HydrophobicContact CG1-CD1 3.37Å; V480-L490 HydrophobicContact CG1-CD2 3.58Å; V480-L490 HydrophobicContact CG1-CG 4.05Å; A482-L490 HydrophobicContact CB-CD2 3.82Å; N486-L490 WeakPolarHBondContact O-CB 3.36Å; N486-L490 PolarHBondContact O-N 3.03Å; S487-L490 PolarHBondContact O-N 3.22Å; H488-L490 PolarHBondContact O-N 3.26Å; L490-T492 VanDerWaalsContact C-N 3.3Å; L490-T492 PolarHBondContact O-N 3.46Å; L490-L493 WeakPolarHBondContact O-CB 3.25Å; L490-L493 PolarHBondContact O-N 2.89Å; L490-L493 VanDerWaalsContact O-N 3.12Å; L490-L494 HydrophobicContact CD1-CD1 4.26Å; L490-L494 HydrophobicContact CD1-CG 4.16Å; L490-L494 HydrophobicContact CD2-CD1 4.46Å; L490-L494 HydrophobicContact CG-CD1 4.01Å; L490-L494 HydrophobicContact CG-CG 4.3Å; L490-L494 WeakPolarHBondContact O-CG 3.45Å; L490-L494 PolarHBondContact O-N 3.18Å; L490-I515 HydrophobicContact CD2-CD1 4.43Å; L490-L542 HydrophobicContact CB-CD2 3.87Å; L490-L542 HydrophobicContact CD1-CB 4.41Å; L490-L542 HydrophobicContact CD1-CD2 4.24Å
491	R	96.6	Very high	96.4	Very high	153 Å²	153	50 Å²	50	58%	0.577	22%	0.224	S	C	*	.	H	α-helix	trans	-57.1	-45.4	177.8	-71.1	176.6	-172.8	175.2	2.4	111.5	S487 H488 L493 L494 D495	S487-R491 WeakPolarHBondContact O-CG 3.43Å; S487-R491 PolarHBondContact O-N 2.81Å; H488-R491 PolarHBondContact O-N 3.37Å; R491-L493 VanDerWaalsContact C-N 3.3Å; R491-L493 PolarHBondContact O-N 3.08Å; R491-L494 PolarHBondContact O-N 3.35Å; R491-L494 VanDerWaalsContact O-N 3.11Å; R491-D495 PolarHBondContact O-N 2.8Å
492	T	96.8	Very high	96.1	Very high	51 Å²	51	53.6 Å²	53.6	31%	0.313	25%	0.249	S	C	.	.	H	α-helix	trans	-57.9	-41.5	176.7	-54.1	0	0	0	0	112.5	H488 L490 S496 L579	H488-T492 PolarHBondContact O-N 2.96Å; H488-T492 VanDerWaalsContact O-N 3.12Å; H488-T492 PolarHBondContact O-OG1 2.92Å; L490-T492 VanDerWaalsContact C-N 3.3Å; L490-T492 PolarHBondContact O-N 3.46Å; T492-S496 WeakPolarHBondContact O-CB 3.42Å; T492-S496 PolarHBondContact O-N 3.3Å; T492-S496 PolarHBondContact O-OG 2.89Å; T492-L579 HydrophobicContact CG2-CD2 3.84Å
493	L	97.7	Very high	95.6	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.4	-46.2	175.2	173.4	65.6	0	0	0	111.6	E489 L490 R491 S496 L497 L540 L542 V569 T574 L579 I586	E489-L493 WeakPolarHBondContact O-CB 3.4Å; E489-L493 PolarHBondContact O-N 2.81Å; L490-L493 WeakPolarHBondContact O-CB 3.25Å; L490-L493 PolarHBondContact O-N 2.89Å; L490-L493 VanDerWaalsContact O-N 3.12Å; R491-L493 VanDerWaalsContact C-N 3.3Å; R491-L493 PolarHBondContact O-N 3.08Å; L493-S496 PolarHBondContact O-N 3.32Å; L493-L497 WeakPolarHBondContact O-CB 3.39Å; L493-L497 PolarHBondContact O-N 3.1Å; L493-L540 HydrophobicContact CD2-CD2 4.39Å; L493-L542 HydrophobicContact CD2-CD1 4.37Å; L493-V569 HydrophobicContact CD1-CG1 4.42Å; L493-V569 HydrophobicContact CD2-CB 4.12Å; L493-V569 HydrophobicContact CD2-CG1 3.88Å; L493-V569 HydrophobicContact CD2-CG2 4.18Å; L493-T574 HydrophobicContact CB-CG2 3.9Å; L493-T574 HydrophobicContact CD1-CG2 4.44Å; L493-T574 HydrophobicContact CD2-CG2 4.04Å; L493-T574 HydrophobicContact CG-CG2 4.35Å; L493-L579 HydrophobicContact CD1-CD1 4.19Å; L493-I586 HydrophobicContact CD1-CD1 4.21Å
494	L	97.8	Very high	95.5	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-63.2	-45.3	-179.3	-69.3	178.4	0	0	0	111.5	W478 V480 L490 R491 S496 L497 Y498 P511	W478-L494 HydrophobicContact CH2-CD2 3.59Å; W478-L494 HydrophobicContact CZ2-CD2 4.39Å; W478-L494 HydrophobicContact CZ3-CD2 4.42Å; V480-L494 HydrophobicContact CG2-CD2 4.09Å; L490-L494 HydrophobicContact CD1-CD1 4.26Å; L490-L494 HydrophobicContact CD1-CG 4.16Å; L490-L494 HydrophobicContact CD2-CD1 4.46Å; L490-L494 HydrophobicContact CG-CD1 4.01Å; L490-L494 HydrophobicContact CG-CG 4.3Å; L490-L494 WeakPolarHBondContact O-CG 3.45Å; L490-L494 PolarHBondContact O-N 3.18Å; R491-L494 PolarHBondContact O-N 3.35Å; R491-L494 VanDerWaalsContact O-N 3.11Å; L494-S496 VanDerWaalsContact C-N 3.32Å; L494-S496 PolarHBondContact O-N 3.46Å; L494-L497 CarbonylContact O-C 3.52Å; L494-L497 WeakPolarHBondContact O-CA 3.37Å; L494-L497 WeakPolarHBondContact O-CB 3.45Å; L494-L497 PolarHBondContact O-N 2.65Å; L494-Y498 HydrophobicContact CB-CE2 3.94Å; L494-Y498 WeakPolarHBondContact O-CD2 3.5Å; L494-Y498 PolarHBondContact O-N 2.92Å; L494-P511 HydrophobicContact CD1-CG 4.16Å; L494-P511 HydrophobicContact CD2-CG 4.46Å
495	D	96.6	Very high	95.4	Very high	88 Å²	88	51.5 Å²	51.5	47%	0.471	26%	0.258	S	S	.	.	H	α-helix	trans	-59	-44.5	176.8	-69.3	-21.9	0	0	0	111.8	R491 L497 Y498 R499	R491-D495 PolarHBondContact O-N 2.8Å; D495-L497 VanDerWaalsContact C-N 3.31Å; D495-L497 PolarHBondContact O-N 3.36Å; D495-Y498 PolarHBondContact O-N 3.42Å; D495-R499 WeakPolarHBondContact O-CG 3.14Å; D495-R499 PolarHBondContact O-N 2.93Å
496	S	96.5	Very high	95.4	Very high	21 Å²	21	43.9 Å²	43.9	15%	0.147	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-38.9	175.5	-60.6	0	0	0	0	111.5	T492 L493 L494 A500 L579 M580	T492-S496 WeakPolarHBondContact O-CB 3.42Å; T492-S496 PolarHBondContact O-N 3.3Å; T492-S496 PolarHBondContact O-OG 2.89Å; L493-S496 PolarHBondContact O-N 3.32Å; L494-S496 VanDerWaalsContact C-N 3.32Å; L494-S496 PolarHBondContact O-N 3.46Å; S496-A500 WeakPolarHBondContact O-CB 3.26Å; S496-A500 PolarHBondContact O-N 2.91Å; S496-L579 VanDerWaalsContact OG-CD2 3.29Å; S496-L579 WeakPolarHBondContact OG-CD2 3.49Å; S496-M580 WeakPolarHBondContact O-CE 3.29Å
497	L	97.1	Very high	95.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-66.7	-44.1	178.6	-176.2	66	0	0	0	111.8	W478 L493 L494 D495 R499 A500 A501 I508 I586 A587 L590	W478-L497 HydrophobicContact CH2-CD2 4.15Å; L493-L497 WeakPolarHBondContact O-CB 3.39Å; L493-L497 PolarHBondContact O-N 3.1Å; L494-L497 CarbonylContact O-C 3.52Å; L494-L497 WeakPolarHBondContact O-CA 3.37Å; L494-L497 WeakPolarHBondContact O-CB 3.45Å; L494-L497 PolarHBondContact O-N 2.65Å; D495-L497 VanDerWaalsContact C-N 3.31Å; D495-L497 PolarHBondContact O-N 3.36Å; L497-R499 PolarHBondContact O-N 3.49Å; L497-A500 PolarHBondContact O-N 3.31Å; L497-A501 VanDerWaalsContact O-CB 3.23Å; L497-A501 WeakPolarHBondContact O-CB 3.29Å; L497-A501 PolarHBondContact O-N 2.72Å; L497-I508 HydrophobicContact CD2-CD1 4.31Å; L497-I508 HydrophobicContact CG-CD1 4.03Å; L497-I586 HydrophobicContact CD1-CB 4.22Å; L497-I586 HydrophobicContact CD1-CG2 3.84Å; L497-A587 HydrophobicContact CD1-CB 3.86Å; L497-L590 HydrophobicContact CD1-CD1 4.08Å; L497-L590 HydrophobicContact CD2-CD1 3.87Å; L497-L590 HydrophobicContact CG-CD1 4.46Å
498	Y	96.9	Very high	95.6	Very high	48 Å²	48	49 Å²	49	19%	0.188	25%	0.245	C	C	.	.	H	α-helix	trans	-59.9	-46.1	177.4	-60.7	-37.9	0	0	0	111.7	W478 L494 D495 S502 I508 P511	W478-Y498 HydrophobicContact CZ2-CE1 4.12Å; L494-Y498 HydrophobicContact CB-CE2 3.94Å; L494-Y498 WeakPolarHBondContact O-CD2 3.5Å; L494-Y498 PolarHBondContact O-N 2.92Å; D495-Y498 PolarHBondContact O-N 3.42Å; Y498-S502 VanDerWaalsContact O-CB 3.29Å; Y498-S502 WeakPolarHBondContact O-CB 3.35Å; Y498-S502 PolarHBondContact O-N 2.83Å; Y498-S502 PolarHBondContact O-OG 2.83Å; Y498-I508 HydrophobicContact CD1-CB 4.06Å; Y498-I508 HydrophobicContact CD1-CG2 3.81Å; Y498-I508 HydrophobicContact CE1-CB 4.38Å; Y498-I508 HydrophobicContact CE1-CG2 3.65Å; Y498-P511 WeakPolarHBondContact OH-CD 3.5Å
499	R	94.7	Very high	95.6	Very high	190 Å²	190	48.6 Å²	48.6	72%	0.717	24%	0.237	S	C	*	.	H	α-helix	trans	-62	-46.3	177.7	-69	176.3	-173.6	-167.2	2.6	111.7	D495 L497 G503 M580	D495-R499 WeakPolarHBondContact O-CG 3.14Å; D495-R499 PolarHBondContact O-N 2.93Å; L497-R499 PolarHBondContact O-N 3.49Å; R499-G503 PolarHBondContact O-N 3.07Å; R499-M580 HydrophobicContact CB-CE 4.41Å; R499-M580 HydrophobicContact CB-SD 4.35Å
500	A	94.4	Very high	95.6	Very high	8 Å²	8	51.8 Å²	51.8	7%	0.066	26%	0.263	C	S	.	.	H	α-helix	trans	-62.2	-51.6	178.6	0	0	0	0	0	111.9	S496 L497 S502 G503 M504 M580 A583	S496-A500 WeakPolarHBondContact O-CB 3.26Å; S496-A500 PolarHBondContact O-N 2.91Å; L497-A500 PolarHBondContact O-N 3.31Å; A500-S502 VanDerWaalsContact C-N 3.34Å; A500-S502 PolarHBondContact O-N 3.42Å; A500-G503 PolarHBondContact O-N 3.49Å; A500-M504 PolarHBondContact O-N 2.91Å; A500-M580 HydrophobicContact CB-CE 3.23Å; A500-A583 HydrophobicContact CB-CB 4.18Å
501	A	95.3	Very high	95.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.8	-42	-174.6	0	0	0	0	0	111.4	L497 G503 M504 G505 L506 I508 A587	L497-A501 VanDerWaalsContact O-CB 3.23Å; L497-A501 WeakPolarHBondContact O-CB 3.29Å; L497-A501 PolarHBondContact O-N 2.72Å; A501-G503 PolarHBondContact O-N 3.03Å; A501-M504 CarbonylContact O-C 3.01Å; A501-M504 PolarHBondContact O-N 3.35Å; A501-M504 VanDerWaalsContact O-N 3.14Å; A501-G505 PolarHBondContact O-N 2.95Å; A501-L506 CarbonylContact C-O 3.57Å; A501-L506 HydrophobicContact CB-CB 4.11Å; A501-L506 HydrophobicContact CB-CD2 4.21Å; A501-L506 HydrophobicContact CB-CG 4.27Å; A501-L506 VanDerWaalsContact CB-O 3.32Å; A501-L506 WeakPolarHBondContact CB-O 3.44Å; A501-L506 PolarHBondContact O-N 3.37Å; A501-I508 HydrophobicContact CB-CD1 3.32Å; A501-I508 HydrophobicContact CB-CG1 3.7Å; A501-A587 HydrophobicContact CB-CB 3.89Å
502	S	92.3	Very high	95.6	Very high	75 Å²	75	49.8 Å²	49.8	52%	0.524	26%	0.262	S	S	.	.	H	α-helix	trans	-61.2	-43.9	178.6	-57.9	0	0	0	0	112.1	Y498 A500 M504 G505	Y498-S502 VanDerWaalsContact O-CB 3.29Å; Y498-S502 WeakPolarHBondContact O-CB 3.35Å; Y498-S502 PolarHBondContact O-N 2.83Å; Y498-S502 PolarHBondContact O-OG 2.83Å; A500-S502 VanDerWaalsContact C-N 3.34Å; A500-S502 PolarHBondContact O-N 3.42Å; S502-M504 PolarHBondContact O-N 2.91Å; S502-G505 PolarHBondContact O-N 2.88Å
503	G	88.6	Confident	95.6	Very high	44 Å²	44	51.8 Å²	51.8	45%	0.454	27%	0.268	S	S	.	.	H	α-helix	trans	-60.3	-32.4	176.1	0	0	0	0	0	113.3	R499 A500 A501 G505	R499-G503 PolarHBondContact O-N 3.07Å; A500-G503 PolarHBondContact O-N 3.49Å; A501-G503 PolarHBondContact O-N 3.03Å; G503-G505 VanDerWaalsContact C-N 3.35Å
504	M	93.8	Very high	95.5	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	4.3	177.3	-64.7	-173.5	-64	0	0	114.1	F462 R466 M467 A500 A501 S502 T584 A587 I588	F462-M504 HydrophobicContact CB-SD 4.3Å; F462-M504 HydrophobicContact CD1-SD 4.15Å; R466-M504 CarbonylContact C-O 3.59Å; R466-M504 WeakPolarHBondContact CA-O 3.39Å; M467-M504 HydrophobicContact CE-CB 4.01Å; M467-M504 HydrophobicContact CG-CB 4.22Å; M467-M504 PolarHBondContact N-O 3.01Å; A500-M504 PolarHBondContact O-N 2.91Å; A501-M504 CarbonylContact O-C 3.01Å; A501-M504 PolarHBondContact O-N 3.35Å; A501-M504 VanDerWaalsContact O-N 3.14Å; S502-M504 PolarHBondContact O-N 2.91Å; M504-T584 HydrophobicContact CE-CG2 4.02Å; M504-T584 WeakPolarHBondContact CE-O 3.46Å; M504-T584 HydrophobicContact SD-CG2 3.6Å; M504-T584 VanDerWaalsContact SD-CG2 3.6Å; M504-A587 HydrophobicContact CE-CB 3.3Å; M504-I588 HydrophobicContact CE-CG1 4Å; M504-I588 HydrophobicContact SD-CD1 4.01Å; M504-I588 HydrophobicContact SD-CG1 3.6Å
505	G	94.2	Very high	95.5	Very high	26 Å²	26	56.6 Å²	56.6	27%	0.268	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	5.1	-179.9	0	0	0	0	0	115.5	A501 S502 G503 R507	A501-G505 PolarHBondContact O-N 2.95Å; S502-G505 PolarHBondContact O-N 2.88Å; G503-G505 VanDerWaalsContact C-N 3.35Å; G505-R507 PolarHBondContact O-N 2.75Å
506	L	96.1	Very high	95.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.272	C	S	.	.			trans	-88.9	103.8	173	176.8	66.1	0	0	0	110	M467 T470 P471 A501 I508 N591	M467-L506 HydrophobicContact CE-CB 3.66Å; M467-L506 HydrophobicContact CE-CD2 4.37Å; T470-L506 HydrophobicContact CG2-CB 4.42Å; P471-L506 HydrophobicContact CG-CD1 4.01Å; A501-L506 CarbonylContact C-O 3.57Å; A501-L506 HydrophobicContact CB-CB 4.11Å; A501-L506 HydrophobicContact CB-CD2 4.21Å; A501-L506 HydrophobicContact CB-CG 4.27Å; A501-L506 VanDerWaalsContact CB-O 3.32Å; A501-L506 WeakPolarHBondContact CB-O 3.44Å; A501-L506 PolarHBondContact O-N 3.37Å; L506-I508 HydrophobicContact CD2-CD1 4.03Å; L506-I508 HydrophobicContact CD2-CG1 4.12Å; L506-I508 HydrophobicContact CG-CD1 4.4Å; L506-I508 HydrophobicContact CG-CG1 3.95Å; L506-I508 PolarHBondContact O-N 2.69Å; L506-N591 HydrophobicContact CD2-CB 4.32Å
507	R	95.9	Very high	95.4	Very high	126 Å²	126	62.1 Å²	62.1	48%	0.475	30%	0.304	S	S	.	.			trans	-70.7	116.8	173.6	-174.1	174.9	69.8	-167.1	-0.1	110	S472 D473 G474 L475 G505	S472-R507 PolarHBondContact O-NH2 2.84Å; D473-R507 VanDerWaalsContact C-NH2 3.28Å; D473-R507 PolarHBondContact O-NE 3.43Å; D473-R507 PolarHBondContact O-NH2 3.28Å; G474-R507 CarbonylContact C-O 3.55Å; G474-R507 WeakPolarHBondContact CA-O 3.44Å; L475-R507 PolarHBondContact N-O 2.83Å; G505-R507 PolarHBondContact O-N 2.75Å
508	I	96.7	Very high	95.2	Very high	19 Å²	19	64 Å²	64	10%	0.097	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-112.7	125.7	174.4	-59.1	-175.4	0	0	0	108.4	L475 W478 L497 Y498 A501 L506 L590	L475-I508 HydrophobicContact CB-CG1 4.18Å; L475-I508 HydrophobicContact CB-CG2 4.42Å; L475-I508 HydrophobicContact CD2-CG2 4.35Å; W478-I508 HydrophobicContact CH2-CG2 4.41Å; W478-I508 HydrophobicContact CZ2-CG2 3.47Å; W478-I508 VanDerWaalsContact CZ2-CG2 3.47Å; L497-I508 HydrophobicContact CD2-CD1 4.31Å; L497-I508 HydrophobicContact CG-CD1 4.03Å; Y498-I508 HydrophobicContact CD1-CB 4.06Å; Y498-I508 HydrophobicContact CD1-CG2 3.81Å; Y498-I508 HydrophobicContact CE1-CB 4.38Å; Y498-I508 HydrophobicContact CE1-CG2 3.65Å; A501-I508 HydrophobicContact CB-CD1 3.32Å; A501-I508 HydrophobicContact CB-CG1 3.7Å; L506-I508 HydrophobicContact CD2-CD1 4.03Å; L506-I508 HydrophobicContact CD2-CG1 4.12Å; L506-I508 HydrophobicContact CG-CD1 4.4Å; L506-I508 HydrophobicContact CG-CG1 3.95Å; L506-I508 PolarHBondContact O-N 2.69Å; I508-L590 HydrophobicContact CD1-CD1 4.31Å
509	R	95.8	Very high	95	Very high	133 Å²	133	63.7 Å²	63.7	50%	0.502	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-89.4	167.9	171.7	-64.4	-170.1	177.4	170.3	-1.8	110.7	L475 W478	L475-R509 PolarHBondContact O-N 3.39Å; W478-R509 PolarHBondContact NE1-O 3.41Å
510	S	96.4	Very high	95.1	Very high	99 Å²	99	62.1 Å²	62.1	69%	0.692	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-60.4	133.7	175.4	-57.5	0	0	0	0	111.3
511	P	97.3	Very high	95.2	Very high	16 Å²	16	63.1 Å²	63.1	10%	0.104	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-76.8	164.5	179.1	29.8	-32.7	0	0	0	111.8	W478 V480 L494 Y498 E513	W478-P511 HydrophobicContact CD2-CB 3.73Å; W478-P511 HydrophobicContact CE3-CB 4.04Å; W478-P511 HydrophobicContact CG-CB 4.27Å; W478-P511 HydrophobicContact CH2-CB 4.06Å; W478-P511 HydrophobicContact CH2-CG 3.98Å; W478-P511 HydrophobicContact CZ2-CB 3.72Å; W478-P511 HydrophobicContact CZ2-CG 3.73Å; W478-P511 HydrophobicContact CZ3-CB 4.2Å; W478-P511 HydrophobicContact CZ3-CG 4.49Å; W478-P511 WeakPolarHBondContact O-CA 3.21Å; V480-P511 HydrophobicContact CB-CB 4.35Å; V480-P511 HydrophobicContact CB-CG 4.31Å; V480-P511 HydrophobicContact CG2-CB 3.65Å; V480-P511 HydrophobicContact CG2-CG 3.56Å; L494-P511 HydrophobicContact CD1-CG 4.16Å; L494-P511 HydrophobicContact CD2-CG 4.46Å; Y498-P511 WeakPolarHBondContact OH-CD 3.5Å; P511-E513 PolarHBondContact O-N 2.98Å
512	Q	97.1	Very high	95.3	Very high	95 Å²	95	65 Å²	65	44%	0.444	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	121.7	158.2	-169.3	176.3	3.3	0	0	109.8	W478 A479 V480 F514 S534	W478-Q512 PolarHBondContact O-N 3.13Å; A479-Q512 CarbonylContact C-O 3.5Å; A479-Q512 VanDerWaalsContact CA-O 3.27Å; A479-Q512 WeakPolarHBondContact CA-O 3.39Å; A479-Q512 HydrophobicContact CB-CB 4.26Å; V480-Q512 PolarHBondContact N-O 3.45Å; Q512-F514 HydrophobicContact CB-CE2 4.26Å; Q512-F514 HydrophobicContact CG-CD2 4.09Å; Q512-F514 HydrophobicContact CG-CE2 3.58Å; Q512-F514 HydrophobicContact CG-CZ 4.38Å; Q512-S534 PolarHBondContact OE1-OG 3.12Å
513	E	95.9	Very high	95.5	Very high	94 Å²	94	62.1 Å²	62.1	44%	0.439	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	119.7	179.2	-64.8	-172.5	-172	0	0	111.3	P511 I515	P511-E513 PolarHBondContact O-N 2.98Å; E513-I515 HydrophobicContact CB-CD1 4.48Å
514	F	96.8	Very high	95.9	Very high	42 Å²	42	60 Å²	60	18%	0.184	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	92.2	171.5	-79.5	-95.4	0	0	0	109.1	A479 V480 I481 A482 Q512 D530 C531	A479-F514 HydrophobicContact CB-CD2 4.29Å; A479-F514 HydrophobicContact CB-CE2 4.41Å; V480-F514 PolarHBondContact O-N 2.92Å; I481-F514 WeakPolarHBondContact CA-O 3.37Å; I481-F514 HydrophobicContact CG1-CB 3.96Å; A482-F514 PolarHBondContact N-O 3.08Å; Q512-F514 HydrophobicContact CB-CE2 4.26Å; Q512-F514 HydrophobicContact CG-CD2 4.09Å; Q512-F514 HydrophobicContact CG-CE2 3.58Å; Q512-F514 HydrophobicContact CG-CZ 4.38Å; F514-D530 HydrophobicContact CE1-CB 4.35Å; F514-C531 HydrophobicContact CD2-CB 4.01Å; F514-C531 HydrophobicContact CE1-CB 4.26Å; F514-C531 HydrophobicContact CE2-CB 3.6Å; F514-C531 HydrophobicContact CG-CB 4.49Å; F514-C531 HydrophobicContact CZ-CB 3.75Å
515	I	97.3	Very high	96.1	Very high	62 Å²	62	60.9 Å²	60.9	32%	0.318	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	118.1	179.2	-55.6	-55.9	0	0	0	109.8	A482 Q484 L490 E513	A482-I515 WeakPolarHBondContact O-CA 3.46Å; Q484-I515 VanDerWaalsContact CA-CG2 3.42Å; Q484-I515 HydrophobicContact CB-CG2 3.63Å; Q484-I515 HydrophobicContact CG-CG2 4.06Å; L490-I515 HydrophobicContact CD2-CD1 4.43Å; E513-I515 HydrophobicContact CB-CD1 4.48Å
516	I	97.3	Very high	96.3	Very high	16 Å²	16	66.7 Å²	66.7	8%	0.082	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	147.7	179.4	60.7	177.4	0	0	0	111.3	I481 A482 P483 Q484 D518 Y524 A527	I481-I516 HydrophobicContact CG2-CD1 4.25Å; I481-I516 HydrophobicContact CG2-CG2 4.18Å; A482-I516 PolarHBondContact O-N 3.31Å; P483-I516 CarbonylContact C-O 3.57Å; P483-I516 VanDerWaalsContact CA-O 3.27Å; P483-I516 WeakPolarHBondContact CA-O 3.39Å; P483-I516 HydrophobicContact CB-CG1 4.43Å; P483-I516 HydrophobicContact CG-CG1 4.38Å; Q484-I516 PolarHBondContact N-O 2.89Å; I516-D518 WeakPolarHBondContact CD1-O 3.5Å; I516-D518 VanDerWaalsContact CG1-O 3.26Å; I516-D518 WeakPolarHBondContact CG1-O 3.37Å; I516-Y524 HydrophobicContact CD1-CD1 4.08Å; I516-Y524 HydrophobicContact CD1-CD2 3.83Å; I516-Y524 HydrophobicContact CD1-CE1 3.96Å; I516-Y524 HydrophobicContact CD1-CE2 3.69Å; I516-Y524 HydrophobicContact CD1-CG 4.02Å; I516-A527 HydrophobicContact CG2-CB 3.83Å
517	Y	94.4	Very high	96.3	Very high	209 Å²	209	67 Å²	67	82%	0.82	32%	0.315	S	S	*	.	S	Bend	trans	-74.9	-31.7	-177.3	-61.3	-69.2	0	0	0	113.9
518	D	93.1	Very high	96.4	Very high	39 Å²	39	61.2 Å²	61.2	21%	0.209	29%	0.293	C	S	.	.	S	Bend	trans	-128.2	171.3	-179.1	71.6	53.5	0	0	0	111.8	I516 R520 T523	I516-D518 WeakPolarHBondContact CD1-O 3.5Å; I516-D518 VanDerWaalsContact CG1-O 3.26Å; I516-D518 WeakPolarHBondContact CG1-O 3.37Å; D518-R520 HydrophobicContact CB-CG 4.49Å; D518-R520 VanDerWaalsContact CG-NE 3.32Å; D518-R520 WeakPolarHBondContact OD1-CB 3.28Å; D518-R520 WeakPolarHBondContact OD1-CG 3.41Å; D518-R520 PolarHBondContact OD1-N 3.15Å; D518-R520 IonicContact OD1-NE 2.83Å; D518-R520 PolarHBondContact OD1-NE 3.37Å; D518-R520 IonicContact OD2-CZ 3.73Å; D518-R520 IonicContact OD2-NE 3.27Å; D518-R520 PolarHBondContact OD2-NE 2.93Å; D518-R520 IonicContact OD2-NH2 2.85Å; D518-R520 PolarHBondContact OD2-NH2 2.94Å; D518-T523 WeakPolarHBondContact OD1-CB 3.3Å; D518-T523 WeakPolarHBondContact OD1-CG2 3.09Å; D518-T523 PolarHBondContact OD1-OG1 2.87Å; D518-T523 WeakPolarHBondContact OD2-CG2 3.44Å
519	D	92.6	Very high	96.3	Very high	42 Å²	42	62.5 Å²	62.5	23%	0.225	30%	0.3	C	S	.	.			trans	-106.7	20.8	-179.6	67.5	-13.8	0	0	0	113.9	P483 R485 Y524 P544 R550	P483-D519 HydrophobicContact CG-CB 4.16Å; R485-D519 IonicContact CZ-OD2 3.47Å; R485-D519 VanDerWaalsContact NH2-CG 3.34Å; R485-D519 IonicContact NH2-OD2 3.2Å; R485-D519 PolarHBondContact NH2-OD2 3.22Å; D519-Y524 HydrophobicContact CB-CE2 4.48Å; D519-P544 HydrophobicContact CB-CG 3.89Å; D519-P544 WeakPolarHBondContact OD2-CG 3.43Å; D519-R550 PolarHBondContact O-NE 2.9Å; D519-R550 PolarHBondContact O-NH2 3.05Å; D519-R550 IonicContact OD2-NH2 2.73Å
520	R	95.6	Very high	96.3	Very high	157 Å²	157	59.6 Å²	59.6	59%	0.592	30%	0.295	S	S	*	.			trans	-69	150.5	179.1	-63.3	-174.5	-72.9	-177.1	-9.1	110.7	D518 G522 T523 Y524	D518-R520 HydrophobicContact CB-CG 4.49Å; D518-R520 VanDerWaalsContact CG-NE 3.32Å; D518-R520 WeakPolarHBondContact OD1-CB 3.28Å; D518-R520 WeakPolarHBondContact OD1-CG 3.41Å; D518-R520 PolarHBondContact OD1-N 3.15Å; D518-R520 IonicContact OD1-NE 2.83Å; D518-R520 PolarHBondContact OD1-NE 3.37Å; D518-R520 IonicContact OD2-CZ 3.73Å; D518-R520 IonicContact OD2-NE 3.27Å; D518-R520 PolarHBondContact OD2-NE 2.93Å; D518-R520 IonicContact OD2-NH2 2.85Å; D518-R520 PolarHBondContact OD2-NH2 2.94Å; R520-G522 VanDerWaalsContact C-N 3.27Å; R520-G522 PolarHBondContact O-N 3.2Å; R520-T523 PolarHBondContact N-OG1 2.61Å; R520-T523 PolarHBondContact O-N 2.9Å; R520-T523 PolarHBondContact O-OG1 3.1Å; R520-Y524 WeakPolarHBondContact O-CD2 3.25Å
521	T	96.5	Very high	96.2	Very high	29 Å²	29	54.9 Å²	54.9	18%	0.178	26%	0.262	C	S	.	.	H	α-helix	trans	-57.3	-42.2	178.7	-56.4	0	0	0	0	112.1	T523 Y524 V525 S553	T521-T523 VanDerWaalsContact C-N 3.32Å; T521-T523 PolarHBondContact O-N 2.96Å; T521-Y524 PolarHBondContact O-N 2.93Å; T521-V525 WeakPolarHBondContact O-CG2 3.47Å; T521-V525 PolarHBondContact O-N 3.33Å; T521-V525 VanDerWaalsContact O-N 3.16Å; T521-S553 WeakPolarHBondContact CG2-OG 3.45Å
522	G	96.9	Very high	96	Very high	41 Å²	41	55.2 Å²	55.2	42%	0.423	26%	0.263	S	S	.	.	H	α-helix	trans	-65.7	-25.8	-178.7	0	0	0	0	0	115.2	R520 R526	R520-G522 VanDerWaalsContact C-N 3.27Å; R520-G522 PolarHBondContact O-N 3.2Å; G522-R526 WeakPolarHBondContact O-CG 3.22Å; G522-R526 PolarHBondContact O-N 3.25Å; G522-R526 VanDerWaalsContact O-N 3.14Å; G522-R526 PolarHBondContact O-NE 2.98Å
523	T	97.1	Very high	95.7	Very high	14 Å²	14	60.1 Å²	60.1	9%	0.086	28%	0.278	C	S	.	.	H	α-helix	trans	-76.7	-41.7	176.1	42.4	0	0	0	0	111.9	D518 R520 T521 V525 R526 A527	D518-T523 WeakPolarHBondContact OD1-CB 3.3Å; D518-T523 WeakPolarHBondContact OD1-CG2 3.09Å; D518-T523 PolarHBondContact OD1-OG1 2.87Å; D518-T523 WeakPolarHBondContact OD2-CG2 3.44Å; R520-T523 PolarHBondContact N-OG1 2.61Å; R520-T523 PolarHBondContact O-N 2.9Å; R520-T523 PolarHBondContact O-OG1 3.1Å; T521-T523 VanDerWaalsContact C-N 3.32Å; T521-T523 PolarHBondContact O-N 2.96Å; T523-V525 VanDerWaalsContact C-N 3.3Å; T523-V525 PolarHBondContact O-N 2.97Å; T523-R526 PolarHBondContact O-N 3.4Å; T523-A527 WeakPolarHBondContact O-CB 3.19Å; T523-A527 PolarHBondContact O-N 2.68Å
524	Y	98.1	Very high	95.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-57.4	-44.8	170.7	-78.3	-85.7	0	0	0	111.7	I481 P483 I516 D519 R520 T521 A527 M528 C541 L542 V543 R550 I554	I481-Y524 HydrophobicContact CB-CD1 4.48Å; I481-Y524 HydrophobicContact CG2-CD1 3.74Å; I481-Y524 HydrophobicContact CG2-CE1 4.07Å; P483-Y524 WeakPolarHBondContact CD-OH 3.26Å; P483-Y524 VanDerWaalsContact CG-OH 3.32Å; P483-Y524 WeakPolarHBondContact CG-OH 3.19Å; I516-Y524 HydrophobicContact CD1-CD1 4.08Å; I516-Y524 HydrophobicContact CD1-CD2 3.83Å; I516-Y524 HydrophobicContact CD1-CE1 3.96Å; I516-Y524 HydrophobicContact CD1-CE2 3.69Å; I516-Y524 HydrophobicContact CD1-CG 4.02Å; D519-Y524 HydrophobicContact CB-CE2 4.48Å; R520-Y524 WeakPolarHBondContact O-CD2 3.25Å; T521-Y524 PolarHBondContact O-N 2.93Å; Y524-A527 PolarHBondContact O-N 2.66Å; Y524-M528 WeakPolarHBondContact O-CB 3.28Å; Y524-M528 VanDerWaalsContact O-CG 3.27Å; Y524-M528 WeakPolarHBondContact O-CG 3.1Å; Y524-M528 PolarHBondContact O-N 3.21Å; Y524-C541 HydrophobicContact CD1-CB 4.31Å; Y524-C541 HydrophobicContact CE1-CB 4.28Å; Y524-L542 PolarHBondContact OH-O 3.04Å; Y524-V543 HydrophobicContact CE1-CG1 4.29Å; Y524-R550 HydrophobicContact CD2-CG 4.24Å; Y524-I554 HydrophobicContact CD1-CD1 4.04Å; Y524-I554 HydrophobicContact CG-CD1 4.14Å
525	V	97.5	Very high	95.5	Very high	19 Å²	19	60.4 Å²	60.4	12%	0.115	29%	0.287	C	S	.	.	H	α-helix	trans	-62.3	-48.1	-179.6	169.8	0	0	0	0	111.5	T521 T523 M528 D529 R557	T521-V525 WeakPolarHBondContact O-CG2 3.47Å; T521-V525 PolarHBondContact O-N 3.33Å; T521-V525 VanDerWaalsContact O-N 3.16Å; T523-V525 VanDerWaalsContact C-N 3.3Å; T523-V525 PolarHBondContact O-N 2.97Å; V525-M528 WeakPolarHBondContact O-CB 3.4Å; V525-M528 PolarHBondContact O-N 2.91Å; V525-D529 PolarHBondContact O-N 2.86Å; V525-R557 HydrophobicContact CB-CG 4.39Å; V525-R557 HydrophobicContact CG1-CG 3.77Å; V525-R557 VanDerWaalsContact CG1-NE 3.31Å; V525-R557 HydrophobicContact CG2-CG 3.91Å
526	R	97.2	Very high	95.5	Very high	148 Å²	148	57.8 Å²	57.8	56%	0.558	27%	0.274	S	S	*	.	H	α-helix	trans	-60.5	-46.9	177.1	-75.2	-176.5	-70.3	170.9	-0.5	112.1	G522 T523 M528 D529 D530	G522-R526 WeakPolarHBondContact O-CG 3.22Å; G522-R526 PolarHBondContact O-N 3.25Å; G522-R526 VanDerWaalsContact O-N 3.14Å; G522-R526 PolarHBondContact O-NE 2.98Å; T523-R526 PolarHBondContact O-N 3.4Å; R526-M528 VanDerWaalsContact C-N 3.26Å; R526-M528 PolarHBondContact O-N 3.3Å; R526-D529 PolarHBondContact O-N 2.8Å; R526-D529 VanDerWaalsContact O-N 3.1Å; R526-D530 PolarHBondContact O-N 3.49Å
527	A	97.4	Very high	95.5	Very high	8 Å²	8	60 Å²	60	7%	0.066	28%	0.283	C	S	.	.	H	α-helix	trans	-60.6	-35.9	176.8	0	0	0	0	0	112.3	I481 I516 T523 Y524 C531	I481-A527 HydrophobicContact CD1-CB 4.06Å; I481-A527 HydrophobicContact CG1-CB 4.41Å; I481-A527 HydrophobicContact CG2-CB 3.95Å; I516-A527 HydrophobicContact CG2-CB 3.83Å; T523-A527 WeakPolarHBondContact O-CB 3.19Å; T523-A527 PolarHBondContact O-N 2.68Å; Y524-A527 PolarHBondContact O-N 2.66Å; A527-C531 WeakPolarHBondContact O-CB 3.04Å; A527-C531 PolarHBondContact O-N 2.8Å
528	M	97.4	Very high	95.7	Very high	4 Å²	4	50 Å²	50	2%	0.02	24%	0.244	C	C	.	.	H	α-helix	trans	-64.9	-46.7	172.4	-73.9	-179.3	70.3	0	0	111.9	I481 Y524 V525 R526 D530 C531 V532 I554 R557 T566	I481-M528 HydrophobicContact CD1-CB 4.23Å; I481-M528 HydrophobicContact CD1-CG 3.39Å; Y524-M528 WeakPolarHBondContact O-CB 3.28Å; Y524-M528 VanDerWaalsContact O-CG 3.27Å; Y524-M528 WeakPolarHBondContact O-CG 3.1Å; Y524-M528 PolarHBondContact O-N 3.21Å; V525-M528 WeakPolarHBondContact O-CB 3.4Å; V525-M528 PolarHBondContact O-N 2.91Å; R526-M528 VanDerWaalsContact C-N 3.26Å; R526-M528 PolarHBondContact O-N 3.3Å; M528-D530 VanDerWaalsContact C-N 3.31Å; M528-D530 PolarHBondContact O-N 2.76Å; M528-C531 PolarHBondContact O-N 3.27Å; M528-V532 WeakPolarHBondContact O-CB 3.35Å; M528-V532 WeakPolarHBondContact O-CG2 3.36Å; M528-V532 PolarHBondContact O-N 3.08Å; M528-I554 HydrophobicContact CE-CG2 4.33Å; M528-I554 WeakPolarHBondContact CE-O 3.42Å; M528-I554 HydrophobicContact SD-CB 4.21Å; M528-I554 HydrophobicContact SD-CG1 4.22Å; M528-I554 HydrophobicContact SD-CG2 3.83Å; M528-R557 HydrophobicContact CE-CB 4.35Å; M528-T566 HydrophobicContact CE-CG2 3.8Å
529	D	95.5	Very high	96	Very high	45 Å²	45	48.1 Å²	48.1	24%	0.241	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-38.7	178.9	-81	-49.5	0	0	0	112.3	V525 R526 R562	V525-D529 PolarHBondContact O-N 2.86Å; R526-D529 PolarHBondContact O-N 2.8Å; R526-D529 VanDerWaalsContact O-N 3.1Å; D529-R562 IonicContact OD1-CZ 3.81Å; D529-R562 IonicContact OD1-NE 2.88Å; D529-R562 PolarHBondContact OD1-NE 3.23Å; D529-R562 IonicContact OD1-NH2 2.69Å; D529-R562 PolarHBondContact OD1-NH2 3.46Å
530	D	94.8	Very high	96.3	Very high	73 Å²	73	46.2 Å²	46.2	39%	0.39	22%	0.224	S	C	.	.	H	α-helix	trans	-70.8	-42.5	175.6	-65	-31	0	0	0	111.7	F514 R526 M528 V532 R533	F514-D530 HydrophobicContact CE1-CB 4.35Å; R526-D530 PolarHBondContact O-N 3.49Å; M528-D530 VanDerWaalsContact C-N 3.31Å; M528-D530 PolarHBondContact O-N 2.76Å; D530-V532 VanDerWaalsContact C-N 3.35Å; D530-V532 PolarHBondContact O-N 3.36Å; D530-R533 WeakPolarHBondContact O-CB 3.44Å; D530-R533 WeakPolarHBondContact O-CG 3.32Å; D530-R533 PolarHBondContact O-N 3.18Å; D530-R533 IonicContact OD1-CZ 2.66Å; D530-R533 IonicContact OD1-NE 2.68Å; D530-R533 IonicContact OD1-NH2 3.16Å; D530-R533 PolarHBondContact OD1-NH2 3.37Å
531	C	93.7	Very high	96.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.5	-39.3	178.2	172.7	0	0	0	0	112.6	A479 F514 A527 M528 R533 S534 P536 I539	A479-C531 WeakPolarHBondContact CB-SG 3.01Å; F514-C531 HydrophobicContact CD2-CB 4.01Å; F514-C531 HydrophobicContact CE1-CB 4.26Å; F514-C531 HydrophobicContact CE2-CB 3.6Å; F514-C531 HydrophobicContact CG-CB 4.49Å; F514-C531 HydrophobicContact CZ-CB 3.75Å; A527-C531 WeakPolarHBondContact O-CB 3.04Å; A527-C531 PolarHBondContact O-N 2.8Å; M528-C531 PolarHBondContact O-N 3.27Å; C531-R533 PolarHBondContact O-N 3.34Å; C531-R533 VanDerWaalsContact O-N 3.11Å; C531-S534 PolarHBondContact O-N 3.44Å; C531-S534 PolarHBondContact O-OG 2.96Å; C531-P536 WeakPolarHBondContact O-CD 3.17Å; C531-I539 HydrophobicContact CB-CD1 4.46Å
532	V	93.6	Very high	96.5	Very high	23 Å²	23	37.4 Å²	37.4	14%	0.139	19%	0.187	C	C	.	.	H	α-helix	trans	-61.1	-23	-178.8	170.1	0	0	0	0	112.3	M528 D530 S534 D535 I539 R562 V564	M528-V532 WeakPolarHBondContact O-CB 3.35Å; M528-V532 WeakPolarHBondContact O-CG2 3.36Å; M528-V532 PolarHBondContact O-N 3.08Å; D530-V532 VanDerWaalsContact C-N 3.35Å; D530-V532 PolarHBondContact O-N 3.36Å; V532-S534 PolarHBondContact O-N 3.06Å; V532-S534 VanDerWaalsContact O-N 3.13Å; V532-D535 WeakPolarHBondContact O-CA 3.35Å; V532-D535 PolarHBondContact O-N 3.33Å; V532-I539 HydrophobicContact CG2-CD1 3.99Å; V532-R562 HydrophobicContact CG1-CG 4.48Å; V532-R562 HydrophobicContact CG2-CG 4.44Å; V532-V564 HydrophobicContact CG1-CG2 4.41Å; V532-V564 HydrophobicContact CG2-CG2 4.1Å
533	R	92.1	Very high	96.5	Very high	197 Å²	197	35.8 Å²	35.8	74%	0.743	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.4	174.7	-56.7	-178.7	-168.5	172	9.9	113.8	D530 C531 D535	D530-R533 WeakPolarHBondContact O-CB 3.44Å; D530-R533 WeakPolarHBondContact O-CG 3.32Å; D530-R533 PolarHBondContact O-N 3.18Å; D530-R533 IonicContact OD1-CZ 2.66Å; D530-R533 IonicContact OD1-NE 2.68Å; D530-R533 IonicContact OD1-NH2 3.16Å; D530-R533 PolarHBondContact OD1-NH2 3.37Å; C531-R533 PolarHBondContact O-N 3.34Å; C531-R533 VanDerWaalsContact O-N 3.11Å; R533-D535 VanDerWaalsContact C-N 3.32Å
534	S	92.8	Very high	96.4	Very high	38 Å²	38	36.2 Å²	36.2	27%	0.266	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	3.6	174.4	68.9	0	0	0	0	113.4	R477 Q512 C531 V532	R477-S534 WeakPolarHBondContact CD-O 3.25Å; R477-S534 PolarHBondContact NE-O 3.3Å; R477-S534 VanDerWaalsContact NE-O 3.16Å; Q512-S534 PolarHBondContact OE1-OG 3.12Å; C531-S534 PolarHBondContact O-N 3.44Å; C531-S534 PolarHBondContact O-OG 2.96Å; V532-S534 PolarHBondContact O-N 3.06Å; V532-S534 VanDerWaalsContact O-N 3.13Å
535	D	95.4	Very high	96.2	Very high	104 Å²	104	40.1 Å²	40.1	56%	0.556	19%	0.193	S	C	*	.			trans	49.8	52.1	-176.4	-66.4	-25.6	0	0	0	114.5	R477 V532 R533 K537	R477-D535 PolarHBondContact NE-O 2.87Å; R477-D535 PolarHBondContact NH2-O 2.86Å; V532-D535 WeakPolarHBondContact O-CA 3.35Å; V532-D535 PolarHBondContact O-N 3.33Å; R533-D535 VanDerWaalsContact C-N 3.32Å; D535-K537 PolarHBondContact O-N 3.45Å
536	P	97.1	Very high	95.9	Very high	7 Å²	7	46.4 Å²	46.4	5%	0.045	23%	0.226	C	C	.	.			trans	-64.2	138.8	-178.3	29.9	-36	0	0	0	111.4	C531 L538 I539 V564	C531-P536 WeakPolarHBondContact O-CD 3.17Å; P536-L538 PolarHBondContact O-N 3.3Å; P536-I539 HydrophobicContact CB-CG1 4.26Å; P536-I539 HydrophobicContact CG-CD1 3.94Å; P536-I539 HydrophobicContact CG-CG1 3.77Å; P536-V564 HydrophobicContact CG-CG1 4.3Å
537	K	97.3	Very high	95.7	Very high	62 Å²	62	42 Å²	42	27%	0.27	21%	0.214	S	C	.	.	S	Bend	trans	-65.8	-26.7	173.6	-64.2	-177	177.5	171.6	0	111.6	D473 L475 D476 R477 D535 L594	D473-K537 IonicContact OD2-NZ 2.88Å; L475-K537 HydrophobicContact CD1-CB 4.01Å; D476-K537 VanDerWaalsContact CG-NZ 3.26Å; D476-K537 VanDerWaalsContact OD1-CD 3.22Å; D476-K537 WeakPolarHBondContact OD1-CD 3.22Å; D476-K537 WeakPolarHBondContact OD1-CE 3.03Å; D476-K537 IonicContact OD1-NZ 3.6Å; D476-K537 PolarHBondContact OD1-NZ 3.33Å; D476-K537 IonicContact OD2-NZ 2.87Å; D476-K537 PolarHBondContact OD2-NZ 3.21Å; R477-K537 WeakPolarHBondContact O-CB 3.36Å; R477-K537 PolarHBondContact O-N 3.3Å; D535-K537 PolarHBondContact O-N 3.45Å; K537-L594 HydrophobicContact CB-CD2 3.91Å
538	L	98.4	Very high	95.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.236	C	C	.	.			trans	-156.8	149.2	179.4	-170.6	137.9	0	0	0	111.4	L475 W478 A479 P536 L540 P565 Q567 L590 K593 L594	L475-L538 HydrophobicContact CD1-CB 4.2Å; W478-L538 WeakPolarHBondContact CA-O 3.38Å; W478-L538 HydrophobicContact CB-CB 4.39Å; W478-L538 VanDerWaalsContact CB-O 3.29Å; W478-L538 WeakPolarHBondContact CB-O 3.34Å; W478-L538 HydrophobicContact CE3-CD2 4.33Å; A479-L538 PolarHBondContact N-O 2.88Å; A479-L538 VanDerWaalsContact N-O 3.08Å; P536-L538 PolarHBondContact O-N 3.3Å; L538-L540 HydrophobicContact CD2-CB 4.39Å; L538-P565 WeakPolarHBondContact CA-O 3.4Å; L538-P565 HydrophobicContact CD1-CB 4.46Å; L538-Q567 HydrophobicContact CD2-CB 4.27Å; L538-L590 HydrophobicContact CD1-CB 4.43Å; L538-L590 HydrophobicContact CD1-CD2 3.54Å; L538-L590 HydrophobicContact CD2-CD2 3.72Å; L538-L590 HydrophobicContact CG-CD2 4.29Å; L538-K593 HydrophobicContact CD1-CB 3.98Å; L538-K593 HydrophobicContact CD1-CD 4.33Å; L538-L594 HydrophobicContact CB-CD2 4.4Å
539	I	98.6	Very high	95.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.2	170.7	-59.5	172.2	0	0	0	109.9	A479 I481 C531 V532 P536 V564 P565 T566 Q567	A479-I539 CarbonylContact O-C 3.53Å; A479-I539 WeakPolarHBondContact O-CA 3.23Å; I481-I539 HydrophobicContact CD1-CG2 3.74Å; I481-I539 HydrophobicContact CG1-CG2 4.09Å; C531-I539 HydrophobicContact CB-CD1 4.46Å; V532-I539 HydrophobicContact CG2-CD1 3.99Å; P536-I539 HydrophobicContact CB-CG1 4.26Å; P536-I539 HydrophobicContact CG-CD1 3.94Å; P536-I539 HydrophobicContact CG-CG1 3.77Å; I539-V564 HydrophobicContact CD1-CG1 3.91Å; I539-V564 HydrophobicContact CG1-CG1 3.88Å; I539-P565 PolarHBondContact N-O 3.44Å; I539-T566 HydrophobicContact CB-CG2 4.38Å; I539-T566 CarbonylContact O-C 3.6Å; I539-T566 WeakPolarHBondContact O-CA 3.12Å; I539-Q567 PolarHBondContact O-N 2.87Å
540	L	98.7	Very high	95.2	Very high	1 Å²	1	49 Å²	49	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123.9	173.1	-174.6	155	0	0	0	110.4	W478 A479 V480 I481 L493 L538 Q567 V569	W478-L540 HydrophobicContact CZ3-CB 4.07Å; W478-L540 HydrophobicContact CZ3-CD1 4.38Å; A479-L540 PolarHBondContact O-N 3.07Å; V480-L540 CarbonylContact C-O 3.57Å; V480-L540 VanDerWaalsContact CA-O 3.26Å; V480-L540 WeakPolarHBondContact CA-O 3.34Å; V480-L540 HydrophobicContact CG1-CD2 4.27Å; V480-L540 HydrophobicContact CG2-CB 4.24Å; I481-L540 PolarHBondContact N-O 3.42Å; L493-L540 HydrophobicContact CD2-CD2 4.39Å; L538-L540 HydrophobicContact CD2-CB 4.39Å; L540-Q567 CarbonylContact C-O 3.38Å; L540-Q567 WeakPolarHBondContact CA-O 3.16Å; L540-Q567 HydrophobicContact CB-CB 4.24Å; L540-Q567 HydrophobicContact CD1-CB 4.33Å; L540-Q567 HydrophobicContact CD1-CG 4.08Å; L540-Q567 HydrophobicContact CG-CB 4.1Å; L540-Q567 HydrophobicContact CG-CG 4.17Å; L540-V569 HydrophobicContact CD1-CG2 4.3Å; L540-V569 HydrophobicContact CD2-CG2 4.42Å; L540-V569 HydrophobicContact CG-CG2 4.41Å
541	C	98.6	Very high	95.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	118	176	-58	0	0	0	0	110.5	I481 Y524 I554 Q567 V568 V569	I481-C541 WeakPolarHBondContact O-CA 3.35Å; Y524-C541 HydrophobicContact CD1-CB 4.31Å; Y524-C541 HydrophobicContact CE1-CB 4.28Å; C541-I554 HydrophobicContact CB-CD1 4.08Å; C541-Q567 PolarHBondContact N-O 2.97Å; C541-V568 WeakPolarHBondContact O-CA 3.19Å; C541-V569 PolarHBondContact O-N 2.99Å
542	L	98.4	Very high	95.5	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	113.3	171.5	-179.9	65.8	0	0	0	109.1	I481 A482 N486 L490 L493 Y524 V569 T574	I481-L542 PolarHBondContact O-N 3.03Å; A482-L542 HydrophobicContact CB-CB 3.98Å; A482-L542 HydrophobicContact CB-CD2 4.31Å; N486-L542 HydrophobicContact CB-CD2 4.11Å; L490-L542 HydrophobicContact CB-CD2 3.87Å; L490-L542 HydrophobicContact CD1-CB 4.41Å; L490-L542 HydrophobicContact CD1-CD2 4.24Å; L493-L542 HydrophobicContact CD2-CD1 4.37Å; Y524-L542 PolarHBondContact OH-O 3.04Å; L542-V569 WeakPolarHBondContact CA-O 3.26Å; L542-V569 HydrophobicContact CD1-CB 4.31Å; L542-V569 HydrophobicContact CD1-CG1 4.3Å; L542-T574 HydrophobicContact CD1-CG2 3.79Å
543	V	97.6	Very high	95.7	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.042	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	144	-176	-60.8	0	0	0	0	111.9	Y524 N545 I554 V568 V569 T570 L571	Y524-V543 HydrophobicContact CE1-CG1 4.29Å; V543-N545 PolarHBondContact O-N 2.81Å; V543-I554 HydrophobicContact CG1-CD1 4.11Å; V543-V568 HydrophobicContact CB-CG1 4.46Å; V543-V568 HydrophobicContact CG1-CG1 3.93Å; V543-V568 HydrophobicContact CG2-CG1 3.66Å; V543-V569 PolarHBondContact N-O 3.11Å; V543-T570 HydrophobicContact CG2-CG2 4.1Å; V543-T570 CarbonylContact O-C 3.58Å; V543-T570 WeakPolarHBondContact O-CA 3.3Å; V543-L571 PolarHBondContact O-N 2.68Å
544	P	95	Very high	96	Very high	24 Å²	24	40.5 Å²	40.5	16%	0.156	22%	0.223	C	C	.	.	S	Bend	trans	-70.3	-32.4	-174.4	26.3	-34.8	0	0	0	113.7	D519	D519-P544 HydrophobicContact CB-CG 3.89Å; D519-P544 WeakPolarHBondContact OD2-CG 3.43Å
545	N	93.3	Very high	96.3	Very high	82 Å²	82	38.9 Å²	38.9	44%	0.439	21%	0.211	S	C	.	.	S	Bend	trans	-149	171.2	-174.4	59.1	6.4	0	0	0	112	V543 N547 R550	V543-N545 PolarHBondContact O-N 2.81Å; N545-N547 PolarHBondContact O-N 2.97Å; N545-N547 WeakPolarHBondContact OD1-CB 3.33Å; N545-R550 PolarHBondContact OD1-NH1 2.93Å
546	D	91.4	Very high	96.4	Very high	151 Å²	151	37 Å²	37	81%	0.807	20%	0.198	S	C	*	.			trans	-80.5	63.3	178.1	-163.8	3.5	0	0	0	111.1
547	N	93.3	Very high	96.4	Very high	55 Å²	55	40.8 Å²	40.8	29%	0.294	21%	0.211	S	C	.	.			trans	-90.6	110.7	177.7	-177.5	-32.7	0	0	0	110	N545 E549 R550 Y551	N545-N547 PolarHBondContact O-N 2.97Å; N545-N547 WeakPolarHBondContact OD1-CB 3.33Å; N547-E549 VanDerWaalsContact C-N 3.34Å; N547-E549 PolarHBondContact O-N 2.77Å; N547-E549 WeakPolarHBondContact OD1-CB 3.36Å; N547-E549 PolarHBondContact OD1-N 2.86Å; N547-R550 HydrophobicContact CB-CB 4.23Å; N547-R550 PolarHBondContact O-N 2.86Å; N547-R550 PolarHBondContact OD1-N 3.32Å; N547-Y551 WeakPolarHBondContact O-CB 3.36Å; N547-Y551 PolarHBondContact O-N 3.05Å
548	A	90.3	Very high	96.4	Very high	64 Å²	64	38 Å²	38	53%	0.529	20%	0.199	S	C	.	.	H	α-helix	trans	-63.4	-33.9	-178.6	0	0	0	0	0	113.8	S552	A548-S552 VanDerWaalsContact O-CB 3.28Å; A548-S552 WeakPolarHBondContact O-CB 3.49Å; A548-S552 PolarHBondContact O-N 3.16Å; A548-S552 PolarHBondContact O-OG 3.42Å
549	E	92.7	Very high	96.4	Very high	127 Å²	127	38 Å²	38	59%	0.593	20%	0.2	S	C	*	.	H	α-helix	trans	-67.4	-47.7	179.2	-172.3	-165.2	150.5	0	0	110.9	N547 S552 S553	N547-E549 VanDerWaalsContact C-N 3.34Å; N547-E549 PolarHBondContact O-N 2.77Å; N547-E549 WeakPolarHBondContact OD1-CB 3.36Å; N547-E549 PolarHBondContact OD1-N 2.86Å; E549-S552 PolarHBondContact O-N 2.72Å; E549-S553 WeakPolarHBondContact O-CB 3.4Å; E549-S553 PolarHBondContact O-N 2.94Å; E549-S553 PolarHBondContact O-OG 3.35Å
550	R	96.9	Very high	96.3	Very high	13 Å²	13	39 Å²	39	5%	0.049	21%	0.206	C	C	.	.	H	α-helix	trans	-61.5	-47.6	176.5	-171.1	-171.1	-59.5	114.3	-1.6	110.9	D519 Y524 N545 N547 S552 S553 I554	D519-R550 PolarHBondContact O-NE 2.9Å; D519-R550 PolarHBondContact O-NH2 3.05Å; D519-R550 IonicContact OD2-NH2 2.73Å; Y524-R550 HydrophobicContact CD2-CG 4.24Å; N545-R550 PolarHBondContact OD1-NH1 2.93Å; N547-R550 HydrophobicContact CB-CB 4.23Å; N547-R550 PolarHBondContact O-N 2.86Å; N547-R550 PolarHBondContact OD1-N 3.32Å; R550-S552 VanDerWaalsContact C-N 3.34Å; R550-S552 PolarHBondContact O-N 2.9Å; R550-S553 PolarHBondContact O-N 2.78Å; R550-I554 HydrophobicContact CG-CD1 4Å; R550-I554 WeakPolarHBondContact O-CG1 3.44Å; R550-I554 PolarHBondContact O-N 3.23Å
551	Y	97.8	Very high	96.2	Very high	59 Å²	59	41.6 Å²	41.6	23%	0.231	22%	0.219	C	C	.	.	H	α-helix	trans	-57.1	-47.7	176.9	174.2	-94.3	0	0	0	111.5	N547 S553 I554 K555 V568 L823 N827	N547-Y551 WeakPolarHBondContact O-CB 3.36Å; N547-Y551 PolarHBondContact O-N 3.05Å; Y551-S553 VanDerWaalsContact C-N 3.33Å; Y551-S553 PolarHBondContact O-N 2.95Å; Y551-I554 PolarHBondContact O-N 2.93Å; Y551-K555 HydrophobicContact CD1-CG 4.27Å; Y551-K555 HydrophobicContact CD2-CG 4.38Å; Y551-K555 HydrophobicContact CE1-CG 3.86Å; Y551-K555 HydrophobicContact CE2-CD 4.38Å; Y551-K555 HydrophobicContact CE2-CG 3.98Å; Y551-K555 WeakPolarHBondContact O-CB 3.42Å; Y551-K555 VanDerWaalsContact O-CG 3.29Å; Y551-K555 WeakPolarHBondContact O-CG 3.38Å; Y551-K555 PolarHBondContact O-N 3.05Å; Y551-V568 HydrophobicContact CD2-CB 4.23Å; Y551-V568 HydrophobicContact CD2-CG1 4.24Å; Y551-V568 HydrophobicContact CD2-CG2 4.02Å; Y551-V568 HydrophobicContact CE2-CB 4.32Å; Y551-V568 HydrophobicContact CE2-CG2 4.15Å; Y551-L823 HydrophobicContact CE1-CD1 4.31Å; Y551-N827 WeakPolarHBondContact CD1-ND2 3.32Å; Y551-N827 HydrophobicContact CE1-CB 4.29Å
552	S	97	Very high	96	Very high	21 Å²	21	46.7 Å²	46.7	15%	0.147	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-40.8	-179.8	-57.1	0	0	0	0	111.8	A548 E549 R550 K555 K556 N827	A548-S552 VanDerWaalsContact O-CB 3.28Å; A548-S552 WeakPolarHBondContact O-CB 3.49Å; A548-S552 PolarHBondContact O-N 3.16Å; A548-S552 PolarHBondContact O-OG 3.42Å; E549-S552 PolarHBondContact O-N 2.72Å; R550-S552 VanDerWaalsContact C-N 3.34Å; R550-S552 PolarHBondContact O-N 2.9Å; S552-K555 PolarHBondContact O-N 2.79Å; S552-K556 WeakPolarHBondContact O-CB 3.43Å; S552-K556 PolarHBondContact O-N 2.82Å; S552-N827 PolarHBondContact OG-ND2 3.14Å
553	S	98	Very high	95.9	Very high	34 Å²	34	48.5 Å²	48.5	24%	0.238	25%	0.254	C	S	.	.	H	α-helix	trans	-66	-44.5	178.1	-61	0	0	0	0	112.6	T521 E549 R550 Y551 K555 K556 R557	T521-S553 WeakPolarHBondContact CG2-OG 3.45Å; E549-S553 WeakPolarHBondContact O-CB 3.4Å; E549-S553 PolarHBondContact O-N 2.94Å; E549-S553 PolarHBondContact O-OG 3.35Å; R550-S553 PolarHBondContact O-N 2.78Å; Y551-S553 VanDerWaalsContact C-N 3.33Å; Y551-S553 PolarHBondContact O-N 2.95Å; S553-K555 VanDerWaalsContact C-N 3.34Å; S553-K555 PolarHBondContact O-N 2.95Å; S553-K556 PolarHBondContact O-N 3.45Å; S553-R557 WeakPolarHBondContact O-CB 3.35Å; S553-R557 VanDerWaalsContact O-CG 3.3Å; S553-R557 WeakPolarHBondContact O-CG 3.11Å; S553-R557 PolarHBondContact O-N 2.98Å
554	I	98.3	Very high	96	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.3	-47	173.9	-71.6	168.3	0	0	0	110.3	Y524 M528 C541 V543 R550 Y551 G558 V568	Y524-I554 HydrophobicContact CD1-CD1 4.04Å; Y524-I554 HydrophobicContact CG-CD1 4.14Å; M528-I554 HydrophobicContact CE-CG2 4.33Å; M528-I554 WeakPolarHBondContact CE-O 3.42Å; M528-I554 HydrophobicContact SD-CB 4.21Å; M528-I554 HydrophobicContact SD-CG1 4.22Å; M528-I554 HydrophobicContact SD-CG2 3.83Å; C541-I554 HydrophobicContact CB-CD1 4.08Å; V543-I554 HydrophobicContact CG1-CD1 4.11Å; R550-I554 HydrophobicContact CG-CD1 4Å; R550-I554 WeakPolarHBondContact O-CG1 3.44Å; R550-I554 PolarHBondContact O-N 3.23Å; Y551-I554 PolarHBondContact O-N 2.93Å; I554-G558 PolarHBondContact O-N 3.02Å; I554-V568 HydrophobicContact CG2-CG2 4.15Å
555	K	98.2	Very high	96.1	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.017	25%	0.249	C	C	.	.	H	α-helix	trans	-66.6	-41.2	-179.1	-68.7	-58.8	-175.8	-173.6	0	112.7	Y551 S552 S553 G558 Y559 T566 L823 L828	Y551-K555 HydrophobicContact CD1-CG 4.27Å; Y551-K555 HydrophobicContact CD2-CG 4.38Å; Y551-K555 HydrophobicContact CE1-CG 3.86Å; Y551-K555 HydrophobicContact CE2-CD 4.38Å; Y551-K555 HydrophobicContact CE2-CG 3.98Å; Y551-K555 WeakPolarHBondContact O-CB 3.42Å; Y551-K555 VanDerWaalsContact O-CG 3.29Å; Y551-K555 WeakPolarHBondContact O-CG 3.38Å; Y551-K555 PolarHBondContact O-N 3.05Å; S552-K555 PolarHBondContact O-N 2.79Å; S553-K555 VanDerWaalsContact C-N 3.34Å; S553-K555 PolarHBondContact O-N 2.95Å; K555-G558 PolarHBondContact O-N 2.87Å; K555-Y559 HydrophobicContact CD-CD2 4.27Å; K555-Y559 HydrophobicContact CD-CE2 3.58Å; K555-Y559 PolarHBondContact NZ-OH 2.86Å; K555-Y559 WeakPolarHBondContact O-CB 3.48Å; K555-Y559 PolarHBondContact O-N 3.28Å; K555-T566 WeakPolarHBondContact CD-OG1 3.29Å; K555-T566 PolarHBondContact NZ-O 3.48Å; K555-T566 PolarHBondContact NZ-OG1 2.84Å; K555-L823 HydrophobicContact CG-CD1 4.43Å; K555-L828 VanDerWaalsContact C-CD2 3.45Å; K555-L828 HydrophobicContact CB-CD2 3.69Å; K555-L828 WeakPolarHBondContact O-CD2 3.44Å
556	K	97.4	Very high	96.4	Very high	66 Å²	66	43.9 Å²	43.9	29%	0.287	23%	0.228	S	C	.	.	H	α-helix	trans	-62.6	-48.1	177	-172.3	174.2	-179.4	176.5	0	111.4	S552 S553 G558 Y559 V560 D561 L828	S552-K556 WeakPolarHBondContact O-CB 3.43Å; S552-K556 PolarHBondContact O-N 2.82Å; S553-K556 PolarHBondContact O-N 3.45Å; K556-G558 VanDerWaalsContact C-N 3.34Å; K556-G558 PolarHBondContact O-N 2.83Å; K556-Y559 PolarHBondContact O-N 2.83Å; K556-V560 HydrophobicContact CG-CB 4.17Å; K556-V560 HydrophobicContact CG-CG2 4.27Å; K556-V560 WeakPolarHBondContact O-CB 3.18Å; K556-V560 PolarHBondContact O-N 3.07Å; K556-D561 PolarHBondContact O-N 3.19Å; K556-L828 HydrophobicContact CB-CD2 4.48Å
557	R	97.8	Very high	96.7	Very high	86 Å²	86	37.2 Å²	37.2	33%	0.325	19%	0.192	S	C	.	.	H	α-helix	trans	-62.3	-40.5	177.8	-69.8	-75	-179	-89.5	0.4	112.5	V525 M528 S553 D561 R562	V525-R557 HydrophobicContact CB-CG 4.39Å; V525-R557 HydrophobicContact CG1-CG 3.77Å; V525-R557 VanDerWaalsContact CG1-NE 3.31Å; V525-R557 HydrophobicContact CG2-CG 3.91Å; M528-R557 HydrophobicContact CE-CB 4.35Å; S553-R557 WeakPolarHBondContact O-CB 3.35Å; S553-R557 VanDerWaalsContact O-CG 3.3Å; S553-R557 WeakPolarHBondContact O-CG 3.11Å; S553-R557 PolarHBondContact O-N 2.98Å; R557-D561 WeakPolarHBondContact CA-OD2 3.45Å; R557-D561 VanDerWaalsContact CD-OD2 3.28Å; R557-D561 WeakPolarHBondContact CD-OD2 3.3Å; R557-D561 IonicContact CZ-OD2 3.96Å; R557-D561 IonicContact NE-OD2 2.99Å; R557-D561 IonicContact NH1-OD2 3.51Å; R557-D561 PolarHBondContact NH1-OD2 2.94Å; R557-R562 VanDerWaalsContact O-CB 3.3Å; R557-R562 WeakPolarHBondContact O-CB 3.34Å; R557-R562 VanDerWaalsContact O-CG 3.28Å; R557-R562 WeakPolarHBondContact O-CG 3.33Å; R557-R562 PolarHBondContact O-N 3.07Å
558	G	97.3	Very high	96.9	Very high	2 Å²	2	35.8 Å²	35.8	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-71	-35.3	179.3	0	0	0	0	0	115	I554 K555 K556 R562 V564	I554-G558 PolarHBondContact O-N 3.02Å; K555-G558 PolarHBondContact O-N 2.87Å; K556-G558 VanDerWaalsContact C-N 3.34Å; K556-G558 PolarHBondContact O-N 2.83Å; G558-R562 CarbonylContact C-O 3.52Å; G558-R562 CarbonylContact O-C 3.51Å; G558-V564 PolarHBondContact O-N 2.83Å
559	Y	98.1	Very high	97.3	Very high	1 Å²	1	33 Å²	33	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-115.5	-25.2	-166.1	-57.3	-19.5	0	0	0	115.7	K555 K556 R562 V564 T566 L823 L828 P832 Q833 L836 Y841	K555-Y559 HydrophobicContact CD-CD2 4.27Å; K555-Y559 HydrophobicContact CD-CE2 3.58Å; K555-Y559 PolarHBondContact NZ-OH 2.86Å; K555-Y559 WeakPolarHBondContact O-CB 3.48Å; K555-Y559 PolarHBondContact O-N 3.28Å; K556-Y559 PolarHBondContact O-N 2.83Å; Y559-R562 CarbonylContact C-O 3.57Å; Y559-R562 VanDerWaalsContact CA-O 3.25Å; Y559-R562 WeakPolarHBondContact CA-O 3.29Å; Y559-V564 WeakPolarHBondContact CD1-O 3.42Å; Y559-V564 VanDerWaalsContact CE1-O 3.27Å; Y559-V564 WeakPolarHBondContact CE1-O 3.25Å; Y559-T566 HydrophobicContact CE1-CG2 4.23Å; Y559-T566 WeakPolarHBondContact CE1-OG1 3.34Å; Y559-T566 PolarHBondContact OH-N 3.31Å; Y559-T566 PolarHBondContact OH-O 3.5Å; Y559-T566 PolarHBondContact OH-OG1 2.89Å; Y559-T566 VanDerWaalsContact OH-OG1 3.14Å; Y559-L823 HydrophobicContact CD2-CD2 4.29Å; Y559-L823 HydrophobicContact CE2-CD2 4.09Å; Y559-L828 HydrophobicContact CD2-CD1 4.34Å; Y559-L828 HydrophobicContact CD2-CD2 4.34Å; Y559-P832 CarbonylContact O-C 3.54Å; Y559-P832 WeakPolarHBondContact O-CA 3.28Å; Y559-Q833 PolarHBondContact O-N 2.98Å; Y559-L836 HydrophobicContact CD1-CD1 3.96Å; Y559-L836 HydrophobicContact CG-CD1 4.27Å; Y559-Y841 HydrophobicContact CD1-CD2 4.3Å; Y559-Y841 AromaticContact CD2-CD2 3.78Å; Y559-Y841 HydrophobicContact CD2-CD2 3.78Å; Y559-Y841 HydrophobicContact CD2-CE2 4.27Å; Y559-Y841 HydrophobicContact CE1-CD2 4.48Å; Y559-Y841 AromaticContact CE2-CD2 3.87Å; Y559-Y841 HydrophobicContact CE2-CD2 3.87Å; Y559-Y841 WeakPolarHBondContact CE2-O 3.1Å; Y559-Y841 AromaticContact CG-CD2 3.99Å; Y559-Y841 HydrophobicContact CG-CD2 3.99Å; Y559-Y841 VanDerWaalsContact CZ-O 3.24Å; Y559-Y841 PolarHBondContact OH-O 2.85Å
560	V	97.3	Very high	97.5	Very high	21 Å²	21	29 Å²	29	13%	0.127	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-52.8	-179.3	179.3	0	0	0	0	109.3	K556 R562 L828 Q833	K556-V560 HydrophobicContact CG-CB 4.17Å; K556-V560 HydrophobicContact CG-CG2 4.27Å; K556-V560 WeakPolarHBondContact O-CB 3.18Å; K556-V560 PolarHBondContact O-N 3.07Å; V560-R562 VanDerWaalsContact C-N 3.34Å; V560-L828 HydrophobicContact CG2-CB 4.16Å; V560-L828 HydrophobicContact CG2-CD1 4.45Å; V560-L828 HydrophobicContact CG2-CD2 4.4Å; V560-Q833 WeakPolarHBondContact O-CG 3.36Å; V560-Q833 PolarHBondContact O-NE2 2.99Å
561	D	95.6	Very high	97.5	Very high	55 Å²	55	29.6 Å²	29.6	29%	0.294	15%	0.15	S	C	.	.	S	Bend	trans	-79.9	-22.9	-177.7	-49.8	-48.1	0	0	0	111.9	K556 R557	K556-D561 PolarHBondContact O-N 3.19Å; R557-D561 WeakPolarHBondContact CA-OD2 3.45Å; R557-D561 VanDerWaalsContact CD-OD2 3.28Å; R557-D561 WeakPolarHBondContact CD-OD2 3.3Å; R557-D561 IonicContact CZ-OD2 3.96Å; R557-D561 IonicContact NE-OD2 2.99Å; R557-D561 IonicContact NH1-OD2 3.51Å; R557-D561 PolarHBondContact NH1-OD2 2.94Å
562	R	94.6	Very high	97.3	Very high	107 Å²	107	34.9 Å²	34.9	40%	0.404	17%	0.174	S	C	.	.	S	Bend	trans	-136.9	175.1	176.3	-51.7	-65.6	176.5	-116.6	0.7	109.6	D529 V532 R557 G558 Y559 V560 Q833	D529-R562 IonicContact OD1-CZ 3.81Å; D529-R562 IonicContact OD1-NE 2.88Å; D529-R562 PolarHBondContact OD1-NE 3.23Å; D529-R562 IonicContact OD1-NH2 2.69Å; D529-R562 PolarHBondContact OD1-NH2 3.46Å; V532-R562 HydrophobicContact CG1-CG 4.48Å; V532-R562 HydrophobicContact CG2-CG 4.44Å; R557-R562 VanDerWaalsContact O-CB 3.3Å; R557-R562 WeakPolarHBondContact O-CB 3.34Å; R557-R562 VanDerWaalsContact O-CG 3.28Å; R557-R562 WeakPolarHBondContact O-CG 3.33Å; R557-R562 PolarHBondContact O-N 3.07Å; G558-R562 CarbonylContact C-O 3.52Å; G558-R562 CarbonylContact O-C 3.51Å; Y559-R562 CarbonylContact C-O 3.57Å; Y559-R562 VanDerWaalsContact CA-O 3.25Å; Y559-R562 WeakPolarHBondContact CA-O 3.29Å; V560-R562 VanDerWaalsContact C-N 3.34Å; R562-Q833 WeakPolarHBondContact O-CG 3.34Å
563	A	97.1	Very high	97.1	Very high	39 Å²	39	35.4 Å²	35.4	32%	0.322	18%	0.176	S	C	.	.			trans	-120.9	47.6	178.5	0	0	0	0	0	112.4	Q833 A835 L836	A563-Q833 HydrophobicContact CB-CB 3.94Å; A563-Q833 HydrophobicContact CB-CG 4.4Å; A563-A835 HydrophobicContact CB-CB 3.84Å; A563-L836 HydrophobicContact CB-CD2 4.49Å; A563-L836 HydrophobicContact CB-CG 4.27Å; A563-L836 WeakPolarHBondContact O-CD2 3.4Å
564	V	97.8	Very high	96.8	Very high	14 Å²	14	34.2 Å²	34.2	9%	0.085	17%	0.168	C	C	.	.			trans	-113.5	119.6	-176.5	-178.6	0	0	0	0	110.8	V532 P536 I539 G558 Y559 T566	V532-V564 HydrophobicContact CG1-CG2 4.41Å; V532-V564 HydrophobicContact CG2-CG2 4.1Å; P536-V564 HydrophobicContact CG-CG1 4.3Å; I539-V564 HydrophobicContact CD1-CG1 3.91Å; I539-V564 HydrophobicContact CG1-CG1 3.88Å; G558-V564 PolarHBondContact O-N 2.83Å; Y559-V564 WeakPolarHBondContact CD1-O 3.42Å; Y559-V564 VanDerWaalsContact CE1-O 3.27Å; Y559-V564 WeakPolarHBondContact CE1-O 3.25Å; V564-T566 PolarHBondContact O-N 3.06Å
565	P	98.1	Very high	96.4	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.013	20%	0.196	C	C	.	.			trans	-56.7	135.7	173.1	-23.9	33.7	0	0	0	112	L538 I539 K593 L836 K839	L538-P565 WeakPolarHBondContact CA-O 3.4Å; L538-P565 HydrophobicContact CD1-CB 4.46Å; I539-P565 PolarHBondContact N-O 3.44Å; P565-K593 HydrophobicContact CB-CB 4.06Å; P565-K593 WeakPolarHBondContact CG-O 3.36Å; P565-L836 HydrophobicContact CG-CD2 4.09Å; P565-K839 HydrophobicContact CG-CD 4Å
566	T	98.5	Very high	96.2	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	141.9	-178.6	59.9	0	0	0	0	112.4	M528 I539 K555 Y559 V564 K593	M528-T566 HydrophobicContact CE-CG2 3.8Å; I539-T566 HydrophobicContact CB-CG2 4.38Å; I539-T566 CarbonylContact O-C 3.6Å; I539-T566 WeakPolarHBondContact O-CA 3.12Å; K555-T566 WeakPolarHBondContact CD-OG1 3.29Å; K555-T566 PolarHBondContact NZ-O 3.48Å; K555-T566 PolarHBondContact NZ-OG1 2.84Å; Y559-T566 HydrophobicContact CE1-CG2 4.23Å; Y559-T566 WeakPolarHBondContact CE1-OG1 3.34Å; Y559-T566 PolarHBondContact OH-N 3.31Å; Y559-T566 PolarHBondContact OH-O 3.5Å; Y559-T566 PolarHBondContact OH-OG1 2.89Å; Y559-T566 VanDerWaalsContact OH-OG1 3.14Å; V564-T566 PolarHBondContact O-N 3.06Å; T566-K593 PolarHBondContact O-NZ 3.4Å
567	Q	98.5	Very high	95.9	Very high	11 Å²	11	53 Å²	53	5%	0.051	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	135.2	169	-177	59.8	36.3	0	0	109.5	L538 I539 L540 C541 V569 I586 L590	L538-Q567 HydrophobicContact CD2-CB 4.27Å; I539-Q567 PolarHBondContact O-N 2.87Å; L540-Q567 CarbonylContact C-O 3.38Å; L540-Q567 WeakPolarHBondContact CA-O 3.16Å; L540-Q567 HydrophobicContact CB-CB 4.24Å; L540-Q567 HydrophobicContact CD1-CB 4.33Å; L540-Q567 HydrophobicContact CD1-CG 4.08Å; L540-Q567 HydrophobicContact CG-CB 4.1Å; L540-Q567 HydrophobicContact CG-CG 4.17Å; C541-Q567 PolarHBondContact N-O 2.97Å; Q567-V569 HydrophobicContact CG-CG2 4.12Å; Q567-I586 HydrophobicContact CG-CG2 4.3Å; Q567-L590 HydrophobicContact CB-CD2 3.75Å; Q567-L590 HydrophobicContact CG-CD2 3.97Å
568	V	98.5	Very high	95.6	Very high	26 Å²	26	52.4 Å²	52.4	16%	0.158	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.7	172.9	-179	0	0	0	0	107.9	C541 V543 Y551 I554	C541-V568 WeakPolarHBondContact O-CA 3.19Å; V543-V568 HydrophobicContact CB-CG1 4.46Å; V543-V568 HydrophobicContact CG1-CG1 3.93Å; V543-V568 HydrophobicContact CG2-CG1 3.66Å; Y551-V568 HydrophobicContact CD2-CB 4.23Å; Y551-V568 HydrophobicContact CD2-CG1 4.24Å; Y551-V568 HydrophobicContact CD2-CG2 4.02Å; Y551-V568 HydrophobicContact CE2-CB 4.32Å; Y551-V568 HydrophobicContact CE2-CG2 4.15Å; I554-V568 HydrophobicContact CG2-CG2 4.15Å
569	V	98.3	Very high	95.4	Very high	5 Å²	5	53 Å²	53	3%	0.03	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	129.2	176.3	-177.2	0	0	0	0	108.2	L493 L540 C541 L542 V543 Q567 T573 T574 I586	L493-V569 HydrophobicContact CD1-CG1 4.42Å; L493-V569 HydrophobicContact CD2-CB 4.12Å; L493-V569 HydrophobicContact CD2-CG1 3.88Å; L493-V569 HydrophobicContact CD2-CG2 4.18Å; L540-V569 HydrophobicContact CD1-CG2 4.3Å; L540-V569 HydrophobicContact CD2-CG2 4.42Å; L540-V569 HydrophobicContact CG-CG2 4.41Å; C541-V569 PolarHBondContact O-N 2.99Å; L542-V569 WeakPolarHBondContact CA-O 3.26Å; L542-V569 HydrophobicContact CD1-CB 4.31Å; L542-V569 HydrophobicContact CD1-CG1 4.3Å; V543-V569 PolarHBondContact N-O 3.11Å; Q567-V569 HydrophobicContact CG-CG2 4.12Å; V569-T573 HydrophobicContact CG1-CG2 4.14Å; V569-T574 HydrophobicContact CG1-CG2 4.43Å; V569-I586 HydrophobicContact CG2-CD1 4.04Å
570	T	97	Very high	95.2	Very high	44 Å²	44	56.9 Å²	56.9	27%	0.27	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	144.1	175.8	57.1	0	0	0	0	110.4	V543 K572 T573	V543-T570 HydrophobicContact CG2-CG2 4.1Å; V543-T570 CarbonylContact O-C 3.58Å; V543-T570 WeakPolarHBondContact O-CA 3.3Å; T570-K572 PolarHBondContact O-N 2.85Å; T570-K572 VanDerWaalsContact O-N 3.17Å; T570-T573 WeakPolarHBondContact O-CA 3.43Å; T570-T573 WeakPolarHBondContact O-CB 3.41Å; T570-T573 PolarHBondContact O-N 2.88Å; T570-T573 PolarHBondContact O-OG1 2.82Å; T570-T573 PolarHBondContact OG1-OG1 3.12Å
571	L	95.4	Very high	95	Very high	24 Å²	24	57.6 Å²	57.6	13%	0.126	28%	0.283	C	S	.	.	H	α-helix	trans	-58.5	-30.9	179.7	-174.4	66.7	0	0	0	113	N486 E489 V543 T573 T574	N486-L571 HydrophobicContact CB-CD1 4.24Å; N486-L571 VanDerWaalsContact ND2-CD2 3.35Å; N486-L571 WeakPolarHBondContact ND2-CD2 3.37Å; E489-L571 HydrophobicContact CB-CD1 3.78Å; E489-L571 HydrophobicContact CG-CD1 3.85Å; V543-L571 PolarHBondContact O-N 2.68Å; L571-T573 PolarHBondContact O-N 3.41Å; L571-T574 PolarHBondContact O-N 2.85Å; L571-T574 PolarHBondContact O-OG1 2.97Å
572	K	94.4	Very high	94.9	Very high	171 Å²	171	57.1 Å²	57.1	74%	0.743	28%	0.28	S	S	*	.	H	α-helix	trans	-58.3	-29.4	173	-175.7	176.2	179.1	177.8	0	112.6	T570	T570-K572 PolarHBondContact O-N 2.85Å; T570-K572 VanDerWaalsContact O-N 3.17Å
573	T	93.8	Very high	95	Very high	31 Å²	31	52 Å²	52	19%	0.19	26%	0.261	C	S	.	.	H	α-helix	trans	-70.4	-38.9	-178.9	-57.3	0	0	0	0	111.8	V569 T570 L571 K575 N576 I582	V569-T573 HydrophobicContact CG1-CG2 4.14Å; T570-T573 WeakPolarHBondContact O-CA 3.43Å; T570-T573 WeakPolarHBondContact O-CB 3.41Å; T570-T573 PolarHBondContact O-N 2.88Å; T570-T573 PolarHBondContact O-OG1 2.82Å; T570-T573 PolarHBondContact OG1-OG1 3.12Å; L571-T573 PolarHBondContact O-N 3.41Å; T573-K575 VanDerWaalsContact C-N 3.25Å; T573-K575 PolarHBondContact O-N 3.31Å; T573-N576 VanDerWaalsContact O-CB 3.22Å; T573-N576 WeakPolarHBondContact O-CB 3.35Å; T573-N576 PolarHBondContact O-N 3.46Å; T573-I582 HydrophobicContact CG2-CB 4.46Å; T573-I582 HydrophobicContact CG2-CD1 4.13Å; T573-I582 HydrophobicContact CG2-CG2 3.52Å
574	T	90.8	Very high	94.9	Very high	10 Å²	10	51.6 Å²	51.6	6%	0.061	25%	0.254	C	S	.	.	H	α-helix	trans	-69.1	-25.8	-178.2	63.8	0	0	0	0	112.4	E489 L493 L542 V569 L571 N576	E489-T574 WeakPolarHBondContact CB-OG1 3.21Å; L493-T574 HydrophobicContact CB-CG2 3.9Å; L493-T574 HydrophobicContact CD1-CG2 4.44Å; L493-T574 HydrophobicContact CD2-CG2 4.04Å; L493-T574 HydrophobicContact CG-CG2 4.35Å; L542-T574 HydrophobicContact CD1-CG2 3.79Å; V569-T574 HydrophobicContact CG1-CG2 4.43Å; L571-T574 PolarHBondContact O-N 2.85Å; L571-T574 PolarHBondContact O-OG1 2.97Å; T574-N576 VanDerWaalsContact C-N 3.3Å; T574-N576 PolarHBondContact O-N 2.94Å
575	K	90.3	Very high	94.8	Very high	134 Å²	134	54.9 Å²	54.9	58%	0.583	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	5.7	177.6	-55.4	-171.6	-178.1	-160.8	0	113.6	E489 T573	E489-K575 WeakPolarHBondContact OE1-CE 3.39Å; E489-K575 IonicContact OE1-NZ 3.97Å; E489-K575 PolarHBondContact OE1-NZ 2.93Å; T573-K575 VanDerWaalsContact C-N 3.25Å; T573-K575 PolarHBondContact O-N 3.31Å
576	N	93	Very high	94.8	Very high	74 Å²	74	55.3 Å²	55.3	40%	0.396	27%	0.27	S	S	.	.			trans	-80.4	133.5	-176	-166.8	-50.4	0	0	0	111.5	T573 T574 S578 L579 I582	T573-N576 VanDerWaalsContact O-CB 3.22Å; T573-N576 WeakPolarHBondContact O-CB 3.35Å; T573-N576 PolarHBondContact O-N 3.46Å; T574-N576 VanDerWaalsContact C-N 3.3Å; T574-N576 PolarHBondContact O-N 2.94Å; N576-S578 PolarHBondContact O-N 2.74Å; N576-S578 VanDerWaalsContact O-N 3.1Å; N576-S578 PolarHBondContact OD1-N 3.15Å; N576-L579 WeakPolarHBondContact O-CB 3.44Å; N576-L579 PolarHBondContact O-N 3.39Å; N576-I582 HydrophobicContact CB-CD1 3.82Å
577	R	91.1	Very high	94.7	Very high	256 Å²	256	55.3 Å²	55.3	97%	0.966	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.5	176.8	-64.7	-175.5	-179	-177.7	-0.6	113.6
578	S	92.7	Very high	94.7	Very high	74 Å²	74	55.2 Å²	55.2	52%	0.517	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	30.9	178.7	-56.4	0	0	0	0	113.3	N576 M580 S581 I582	N576-S578 PolarHBondContact O-N 2.74Å; N576-S578 VanDerWaalsContact O-N 3.1Å; N576-S578 PolarHBondContact OD1-N 3.15Å; S578-M580 PolarHBondContact O-N 3.27Å; S578-M580 VanDerWaalsContact O-N 3.15Å; S578-S581 PolarHBondContact O-N 3.46Å; S578-S581 VanDerWaalsContact O-N 3.09Å; S578-I582 PolarHBondContact O-N 3.14Å
579	L	93.8	Very high	94.6	Very high	15 Å²	15	55 Å²	55	8%	0.079	27%	0.267	C	S	.	.	H	α-helix	trans	-50.8	-40.1	-176.5	-177.1	59.1	0	0	0	113.1	T492 L493 S496 N576 S581 I582 A583	T492-L579 HydrophobicContact CG2-CD2 3.84Å; L493-L579 HydrophobicContact CD1-CD1 4.19Å; S496-L579 VanDerWaalsContact OG-CD2 3.29Å; S496-L579 WeakPolarHBondContact OG-CD2 3.49Å; N576-L579 WeakPolarHBondContact O-CB 3.44Å; N576-L579 PolarHBondContact O-N 3.39Å; L579-S581 PolarHBondContact O-N 2.94Å; L579-I582 CarbonylContact O-C 3.57Å; L579-I582 WeakPolarHBondContact O-CA 3.32Å; L579-I582 WeakPolarHBondContact O-CB 3.18Å; L579-I582 PolarHBondContact O-N 3.2Å; L579-A583 WeakPolarHBondContact O-CB 3.42Å; L579-A583 PolarHBondContact O-N 2.96Å
580	M	92.9	Very high	94.6	Very high	81 Å²	81	54.8 Å²	54.8	40%	0.399	27%	0.265	S	S	.	.	H	α-helix	trans	-59.5	-43.2	-179.7	-166.9	65.3	-97.5	0	0	113	S496 R499 A500 S578 I582 A583 T584	S496-M580 WeakPolarHBondContact O-CE 3.29Å; R499-M580 HydrophobicContact CB-CE 4.41Å; R499-M580 HydrophobicContact CB-SD 4.35Å; A500-M580 HydrophobicContact CB-CE 3.23Å; S578-M580 PolarHBondContact O-N 3.27Å; S578-M580 VanDerWaalsContact O-N 3.15Å; M580-I582 VanDerWaalsContact C-N 3.28Å; M580-I582 PolarHBondContact O-N 3.32Å; M580-A583 HydrophobicContact CE-CB 4.13Å; M580-A583 PolarHBondContact O-N 2.83Å; M580-T584 PolarHBondContact O-N 3.17Å; M580-T584 PolarHBondContact O-OG1 3.32Å
581	S	92.3	Very high	94.7	Very high	37 Å²	37	52.7 Å²	52.7	26%	0.259	25%	0.252	S	S	.	.	H	α-helix	trans	-67.7	-31.2	175.8	176.1	0	0	0	0	112.1	Q459 S578 L579 K585	Q459-S581 PolarHBondContact NE2-OG 3.38Å; S578-S581 PolarHBondContact O-N 3.46Å; S578-S581 VanDerWaalsContact O-N 3.09Å; L579-S581 PolarHBondContact O-N 2.94Å; S581-K585 PolarHBondContact O-N 2.83Å
582	I	94.8	Very high	94.8	Very high	44 Å²	44	51.6 Å²	51.6	23%	0.226	25%	0.246	C	C	.	.	H	α-helix	trans	-75.1	-44.6	178	-60.5	168.4	0	0	0	109.9	T573 N576 S578 L579 M580 T584 K585 I586	T573-I582 HydrophobicContact CG2-CB 4.46Å; T573-I582 HydrophobicContact CG2-CD1 4.13Å; T573-I582 HydrophobicContact CG2-CG2 3.52Å; N576-I582 HydrophobicContact CB-CD1 3.82Å; S578-I582 PolarHBondContact O-N 3.14Å; L579-I582 CarbonylContact O-C 3.57Å; L579-I582 WeakPolarHBondContact O-CA 3.32Å; L579-I582 WeakPolarHBondContact O-CB 3.18Å; L579-I582 PolarHBondContact O-N 3.2Å; M580-I582 VanDerWaalsContact C-N 3.28Å; M580-I582 PolarHBondContact O-N 3.32Å; I582-T584 VanDerWaalsContact C-N 3.26Å; I582-T584 PolarHBondContact O-N 2.95Å; I582-K585 WeakPolarHBondContact O-CA 3.41Å; I582-K585 WeakPolarHBondContact O-CB 3.39Å; I582-K585 PolarHBondContact O-N 3.35Å; I582-I586 HydrophobicContact CG2-CD1 3.98Å; I582-I586 HydrophobicContact CG2-CG1 4.34Å; I582-I586 WeakPolarHBondContact O-CG1 3.34Å; I582-I586 PolarHBondContact O-N 3.32Å
583	A	95.4	Very high	95	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.5	-37	175	0	0	0	0	0	111.9	A500 L579 M580 K585 I586 A587	A500-A583 HydrophobicContact CB-CB 4.18Å; L579-A583 WeakPolarHBondContact O-CB 3.42Å; L579-A583 PolarHBondContact O-N 2.96Å; M580-A583 HydrophobicContact CE-CB 4.13Å; M580-A583 PolarHBondContact O-N 2.83Å; A583-K585 PolarHBondContact O-N 3.35Å; A583-I586 PolarHBondContact O-N 3.05Å; A583-A587 WeakPolarHBondContact O-CB 3.36Å; A583-A587 PolarHBondContact O-N 3.16Å
584	T	94.9	Very high	95.2	Very high	30 Å²	30	42.8 Å²	42.8	18%	0.184	21%	0.206	C	C	.	.	H	α-helix	trans	-57.6	-48.5	170.8	-53.1	0	0	0	0	111.2	F462 M504 M580 I582 I586 A587 I588	F462-T584 HydrophobicContact CB-CG2 4.38Å; M504-T584 HydrophobicContact CE-CG2 4.02Å; M504-T584 WeakPolarHBondContact CE-O 3.46Å; M504-T584 HydrophobicContact SD-CG2 3.6Å; M504-T584 VanDerWaalsContact SD-CG2 3.6Å; M580-T584 PolarHBondContact O-N 3.17Å; M580-T584 PolarHBondContact O-OG1 3.32Å; I582-T584 VanDerWaalsContact C-N 3.26Å; I582-T584 PolarHBondContact O-N 2.95Å; T584-I586 PolarHBondContact O-N 3.23Å; T584-A587 PolarHBondContact O-N 3.48Å; T584-I588 HydrophobicContact CG2-CD1 4.41Å; T584-I588 WeakPolarHBondContact O-CG1 3.36Å; T584-I588 PolarHBondContact O-N 3.44Å
585	K	96	Very high	95.4	Very high	83 Å²	83	43.1 Å²	43.1	36%	0.361	21%	0.211	S	C	.	.	H	α-helix	trans	-65.8	-38	177.7	-67	177	-178.7	-175.6	0	112.3	S581 I582 A583 I588 Q589	S581-K585 PolarHBondContact O-N 2.83Å; I582-K585 WeakPolarHBondContact O-CA 3.41Å; I582-K585 WeakPolarHBondContact O-CB 3.39Å; I582-K585 PolarHBondContact O-N 3.35Å; A583-K585 PolarHBondContact O-N 3.35Å; K585-I588 PolarHBondContact O-N 3.02Å; K585-Q589 WeakPolarHBondContact O-CB 3.46Å; K585-Q589 PolarHBondContact O-N 2.71Å
586	I	97.6	Very high	95.7	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.062	20%	0.199	C	C	.	.	H	α-helix	trans	-61.8	-48.9	174.2	-66.5	169.8	0	0	0	109.5	L493 L497 Q567 V569 I582 A583 T584 I588 Q589 L590	L493-I586 HydrophobicContact CD1-CD1 4.21Å; L497-I586 HydrophobicContact CD1-CB 4.22Å; L497-I586 HydrophobicContact CD1-CG2 3.84Å; Q567-I586 HydrophobicContact CG-CG2 4.3Å; V569-I586 HydrophobicContact CG2-CD1 4.04Å; I582-I586 HydrophobicContact CG2-CD1 3.98Å; I582-I586 HydrophobicContact CG2-CG1 4.34Å; I582-I586 WeakPolarHBondContact O-CG1 3.34Å; I582-I586 PolarHBondContact O-N 3.32Å; A583-I586 PolarHBondContact O-N 3.05Å; T584-I586 PolarHBondContact O-N 3.23Å; I586-I588 PolarHBondContact O-N 3.39Å; I586-Q589 CarbonylContact O-C 3.14Å; I586-Q589 WeakPolarHBondContact O-CA 3.41Å; I586-Q589 WeakPolarHBondContact O-CB 3.47Å; I586-Q589 PolarHBondContact O-N 3.01Å; I586-L590 HydrophobicContact CG2-CD1 4.31Å; I586-L590 HydrophobicContact CG2-CG 4.17Å; I586-L590 WeakPolarHBondContact O-CG 3.3Å; I586-L590 PolarHBondContact O-N 2.83Å
587	A	97.3	Very high	96	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.3	-40.4	178.9	0	0	0	0	0	113	L497 A501 M504 A583 T584 Q589 L590 N591	L497-A587 HydrophobicContact CD1-CB 3.86Å; A501-A587 HydrophobicContact CB-CB 3.89Å; M504-A587 HydrophobicContact CE-CB 3.3Å; A583-A587 WeakPolarHBondContact O-CB 3.36Å; A583-A587 PolarHBondContact O-N 3.16Å; T584-A587 PolarHBondContact O-N 3.48Å; A587-Q589 VanDerWaalsContact C-N 3.33Å; A587-Q589 PolarHBondContact O-N 2.65Å; A587-L590 PolarHBondContact O-N 3.42Å; A587-N591 PolarHBondContact O-N 3.48Å
588	I	97.6	Very high	96.2	Very high	9 Å²	9	24.9 Å²	24.9	5%	0.046	13%	0.134	C	C	.	.	H	α-helix	trans	-57.7	-47.4	170.6	-67.3	168.8	0	0	0	110.3	F462 M467 M504 T584 K585 I586 L590 N591 C592 P598 W599	F462-I588 HydrophobicContact CD1-CD1 3.77Å; F462-I588 HydrophobicContact CD1-CG1 4.4Å; F462-I588 HydrophobicContact CD2-CD1 4.41Å; F462-I588 HydrophobicContact CE1-CD1 3.86Å; F462-I588 HydrophobicContact CE1-CG1 4.46Å; F462-I588 HydrophobicContact CE2-CD1 4.49Å; F462-I588 HydrophobicContact CG-CD1 4.08Å; F462-I588 HydrophobicContact CZ-CD1 4.28Å; M467-I588 HydrophobicContact SD-CG1 4.17Å; M504-I588 HydrophobicContact CE-CG1 4Å; M504-I588 HydrophobicContact SD-CD1 4.01Å; M504-I588 HydrophobicContact SD-CG1 3.6Å; T584-I588 HydrophobicContact CG2-CD1 4.41Å; T584-I588 WeakPolarHBondContact O-CG1 3.36Å; T584-I588 PolarHBondContact O-N 3.44Å; K585-I588 PolarHBondContact O-N 3.02Å; I586-I588 PolarHBondContact O-N 3.39Å; I588-L590 PolarHBondContact O-N 3.47Å; I588-N591 WeakPolarHBondContact O-CB 3.5Å; I588-N591 PolarHBondContact O-N 2.88Å; I588-C592 PolarHBondContact O-N 3.25Å; I588-C592 VanDerWaalsContact O-N 3.08Å; I588-C592 PolarHBondContact O-SG 3.34Å; I588-P598 HydrophobicContact CG2-CB 3.94Å; I588-P598 HydrophobicContact CG2-CG 3.67Å; I588-W599 HydrophobicContact CG2-CZ3 4.08Å
589	Q	98.3	Very high	96.5	Very high	22 Å²	22	21.4 Å²	21.4	10%	0.103	11%	0.11	C	C	.	.	H	α-helix	trans	-63.3	-38.4	178.7	-169.5	178	35.9	0	0	112.4	K585 I586 A587 C592 K593 L843	K585-Q589 WeakPolarHBondContact O-CB 3.46Å; K585-Q589 PolarHBondContact O-N 2.71Å; I586-Q589 CarbonylContact O-C 3.14Å; I586-Q589 WeakPolarHBondContact O-CA 3.41Å; I586-Q589 WeakPolarHBondContact O-CB 3.47Å; I586-Q589 PolarHBondContact O-N 3.01Å; A587-Q589 VanDerWaalsContact C-N 3.33Å; A587-Q589 PolarHBondContact O-N 2.65Å; Q589-C592 PolarHBondContact O-N 3.07Å; Q589-K593 HydrophobicContact CG-CD 4.49Å; Q589-K593 WeakPolarHBondContact O-CG 3.43Å; Q589-K593 PolarHBondContact O-N 2.86Å; Q589-L843 HydrophobicContact CG-CB 4.19Å; Q589-L843 PolarHBondContact NE2-O 2.9Å; Q589-L843 PolarHBondContact NE2-OXT 2.77Å
590	L	98.4	Very high	96.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.9	-46.4	174.8	-62.8	-176.1	0	0	0	110.8	L475 L497 I508 L538 Q567 I586 A587 I588 C592 K593 L594	L475-L590 HydrophobicContact CD2-CD1 4.46Å; L497-L590 HydrophobicContact CD1-CD1 4.08Å; L497-L590 HydrophobicContact CD2-CD1 3.87Å; L497-L590 HydrophobicContact CG-CD1 4.46Å; I508-L590 HydrophobicContact CD1-CD1 4.31Å; L538-L590 HydrophobicContact CD1-CB 4.43Å; L538-L590 HydrophobicContact CD1-CD2 3.54Å; L538-L590 HydrophobicContact CD2-CD2 3.72Å; L538-L590 HydrophobicContact CG-CD2 4.29Å; Q567-L590 HydrophobicContact CB-CD2 3.75Å; Q567-L590 HydrophobicContact CG-CD2 3.97Å; I586-L590 HydrophobicContact CG2-CD1 4.31Å; I586-L590 HydrophobicContact CG2-CG 4.17Å; I586-L590 WeakPolarHBondContact O-CG 3.3Å; I586-L590 PolarHBondContact O-N 2.83Å; A587-L590 PolarHBondContact O-N 3.42Å; I588-L590 PolarHBondContact O-N 3.47Å; L590-C592 VanDerWaalsContact C-N 3.29Å; L590-C592 PolarHBondContact O-N 3.46Å; L590-K593 WeakPolarHBondContact O-CB 3.44Å; L590-K593 PolarHBondContact O-N 2.99Å; L590-K593 VanDerWaalsContact O-N 3.08Å; L590-L594 WeakPolarHBondContact O-CG 3.48Å; L590-L594 PolarHBondContact O-N 3.04Å
591	N	98.1	Very high	96.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-55.8	-45.4	176.2	-164.5	50.2	0	0	0	111.4	M467 T469 P471 L506 A587 I588 K593 L594 G595 Y596	M467-N591 HydrophobicContact CE-CB 3.7Å; M467-N591 HydrophobicContact SD-CB 3.76Å; M467-N591 PolarHBondContact SD-ND2 3.2Å; M467-N591 VanDerWaalsContact SD-ND2 3.44Å; T469-N591 PolarHBondContact O-ND2 3.22Å; P471-N591 WeakPolarHBondContact CD-OD1 3.31Å; L506-N591 HydrophobicContact CD2-CB 4.32Å; A587-N591 PolarHBondContact O-N 3.48Å; I588-N591 WeakPolarHBondContact O-CB 3.5Å; I588-N591 PolarHBondContact O-N 2.88Å; N591-K593 PolarHBondContact O-N 3.36Å; N591-L594 PolarHBondContact O-N 2.93Å; N591-G595 PolarHBondContact O-N 3.35Å; N591-Y596 PolarHBondContact O-N 3.42Å; N591-Y596 VanDerWaalsContact O-N 3.07Å; N591-Y596 WeakPolarHBondContact OD1-CB 3.47Å
592	C	98.3	Very high	96.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.3	-42.5	174.7	-64.5	0	0	0	0	113.2	I588 Q589 L590 L594 G595 Y596 P598 Y802 F840 L843	I588-C592 PolarHBondContact O-N 3.25Å; I588-C592 VanDerWaalsContact O-N 3.08Å; I588-C592 PolarHBondContact O-SG 3.34Å; Q589-C592 PolarHBondContact O-N 3.07Å; L590-C592 VanDerWaalsContact C-N 3.29Å; L590-C592 PolarHBondContact O-N 3.46Å; C592-L594 PolarHBondContact O-N 3.08Å; C592-G595 PolarHBondContact O-N 3.28Å; C592-Y596 WeakPolarHBondContact CA-O 3.38Å; C592-P598 VanDerWaalsContact SG-CD 3.51Å; C592-P598 WeakPolarHBondContact SG-CG 3.38Å; C592-Y802 WeakPolarHBondContact SG-CB 3.36Å; C592-F840 HydrophobicContact CB-CB 3.87Å; C592-F840 HydrophobicContact CB-CD2 3.92Å; C592-F840 HydrophobicContact CB-CG 4.2Å; C592-F840 WeakPolarHBondContact O-CB 3.43Å; C592-F840 WeakPolarHBondContact O-CD2 3.27Å; C592-F840 PolarHBondContact O-N 3.07Å; C592-L843 HydrophobicContact CB-CD1 3.98Å
593	K	98.3	Very high	96.7	Very high	1 Å²	1	18 Å²	18	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-65.1	-25.9	178.9	-79.1	178.8	178.1	173.2	0	113.3	L538 P565 T566 Q589 L590 N591 G595 K839 L843	L538-K593 HydrophobicContact CD1-CB 3.98Å; L538-K593 HydrophobicContact CD1-CD 4.33Å; P565-K593 HydrophobicContact CB-CB 4.06Å; P565-K593 WeakPolarHBondContact CG-O 3.36Å; T566-K593 PolarHBondContact O-NZ 3.4Å; Q589-K593 HydrophobicContact CG-CD 4.49Å; Q589-K593 WeakPolarHBondContact O-CG 3.43Å; Q589-K593 PolarHBondContact O-N 2.86Å; L590-K593 WeakPolarHBondContact O-CB 3.44Å; L590-K593 PolarHBondContact O-N 2.99Å; L590-K593 VanDerWaalsContact O-N 3.08Å; N591-K593 PolarHBondContact O-N 3.36Å; K593-G595 VanDerWaalsContact C-N 3.26Å; K593-K839 WeakPolarHBondContact O-CD 3.44Å; K593-L843 WeakPolarHBondContact CE-OXT 3.4Å; K593-L843 PolarHBondContact NZ-OXT 2.83Å
594	L	97	Very high	96.5	Very high	17 Å²	17	23.2 Å²	23.2	9%	0.089	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-10	173	-62.7	170.8	0	0	0	112.8	P471 L475 K537 L538 L590 N591 C592 Y596	P471-L594 HydrophobicContact CG-CD1 4.24Å; L475-L594 HydrophobicContact CB-CD1 4.44Å; L475-L594 HydrophobicContact CD1-CD1 3.92Å; L475-L594 HydrophobicContact CD1-CD2 3.89Å; L475-L594 HydrophobicContact CD1-CG 4.5Å; K537-L594 HydrophobicContact CB-CD2 3.91Å; L538-L594 HydrophobicContact CB-CD2 4.4Å; L590-L594 WeakPolarHBondContact O-CG 3.48Å; L590-L594 PolarHBondContact O-N 3.04Å; N591-L594 PolarHBondContact O-N 2.93Å; C592-L594 PolarHBondContact O-N 3.08Å; L594-Y596 HydrophobicContact CB-CD2 3.79Å; L594-Y596 HydrophobicContact CB-CE2 4.12Å
595	G	95.8	Very high	96.4	Very high	16 Å²	16	23 Å²	23	17%	0.165	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.6	12.9	179.1	0	0	0	0	0	114.6	N591 C592 K593	N591-G595 PolarHBondContact O-N 3.35Å; C592-G595 PolarHBondContact O-N 3.28Å; K593-G595 VanDerWaalsContact C-N 3.26Å
596	Y	97	Very high	96.2	Very high	81 Å²	81	22 Å²	22	32%	0.318	12%	0.123	S	C	.	.			trans	-108.3	162.1	-174.9	-64.2	-93.7	0	0	0	112.8	P471 N591 C592 L594	P471-Y596 VanDerWaalsContact CA-CZ 3.43Å; P471-Y596 HydrophobicContact CB-CD2 4.32Å; P471-Y596 HydrophobicContact CB-CE1 4.19Å; P471-Y596 HydrophobicContact CB-CE2 3.61Å; P471-Y596 HydrophobicContact CG-CD2 4.19Å; P471-Y596 HydrophobicContact CG-CE2 3.94Å; N591-Y596 PolarHBondContact O-N 3.42Å; N591-Y596 VanDerWaalsContact O-N 3.07Å; N591-Y596 WeakPolarHBondContact OD1-CB 3.47Å; C592-Y596 WeakPolarHBondContact CA-O 3.38Å; L594-Y596 HydrophobicContact CB-CD2 3.79Å; L594-Y596 HydrophobicContact CB-CE2 4.12Å
597	T	97.4	Very high	96.1	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	12%	0.122	C	C	.	.			trans	-109.7	117	-168.1	-53.9	0	0	0	0	111	L468 T469 W599 S639 Y802	L468-T597 WeakPolarHBondContact CB-O 3.29Å; L468-T597 HydrophobicContact CD2-CG2 4.02Å; T469-T597 PolarHBondContact N-O 3.1Å; T469-T597 WeakPolarHBondContact OG1-CA 3.33Å; T469-T597 WeakPolarHBondContact OG1-CB 3.27Å; T469-T597 PolarHBondContact OG1-N 3.46Å; T469-T597 PolarHBondContact OG1-O 3.08Å; T469-T597 VanDerWaalsContact OG1-O 3.07Å; T597-W599 WeakPolarHBondContact CG2-O 3.23Å; T597-S639 WeakPolarHBondContact CB-OG 3.4Å; T597-S639 PolarHBondContact OG1-O 3.2Å; T597-S639 PolarHBondContact OG1-OG 3.2Å; T597-S639 VanDerWaalsContact OG1-OG 3.1Å; T597-Y802 HydrophobicContact CG2-CE1 4.21Å; T597-Y802 HydrophobicContact CG2-CE2 3.94Å; T597-Y802 WeakPolarHBondContact CG2-OH 3.38Å
598	P	97.1	Very high	96.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-72.5	-36.5	-179.2	-25.3	38	0	0	0	114.9	M467 L468 I588 C592 Y802	M467-P598 CarbonylContact C-O 3.53Å; M467-P598 VanDerWaalsContact CA-O 3.29Å; M467-P598 WeakPolarHBondContact CA-O 3.47Å; M467-P598 HydrophobicContact CG-CB 3.93Å; M467-P598 HydrophobicContact SD-CB 3.81Å; M467-P598 HydrophobicContact SD-CG 4.11Å; L468-P598 PolarHBondContact N-O 3.05Å; I588-P598 HydrophobicContact CG2-CB 3.94Å; I588-P598 HydrophobicContact CG2-CG 3.67Å; C592-P598 VanDerWaalsContact SG-CD 3.51Å; C592-P598 WeakPolarHBondContact SG-CG 3.38Å; P598-Y802 HydrophobicContact CG-CD1 4.45Å; P598-Y802 HydrophobicContact CG-CD2 4.48Å; P598-Y802 HydrophobicContact CG-CG 4.14Å
599	W	97.6	Very high	96.1	Very high	1 Å²	1	21.2 Å²	21.2	0%	0.004	12%	0.12	C	C	.	.			trans	-154.6	166.2	178	66.3	85.8	0	0	0	110.6	I443 V444 F445 W458 F462 I588 T597 H799 Y802 W804	I443-W599 HydrophobicContact CG2-CB 3.64Å; I443-W599 HydrophobicContact CG2-CG 3.79Å; V444-W599 CarbonylContact O-C 3.3Å; V444-W599 VanDerWaalsContact O-CA 3.28Å; V444-W599 WeakPolarHBondContact O-CA 3.42Å; F445-W599 HydrophobicContact CE1-CB 4.19Å; F445-W599 HydrophobicContact CZ-CB 4.33Å; W458-W599 AromaticContact CE2-CE2 3.99Å; W458-W599 AromaticContact CZ2-CE2 3.71Å; W458-W599 AromaticContact CZ2-CZ2 3.78Å; W458-W599 HydrophobicContact CZ2-CZ2 3.78Å; W458-W599 AromaticContact CZ2-NE1 3.52Å; W458-W599 AromaticContact NE1-CD2 3.81Å; W458-W599 AromaticContact NE1-CE2 3.64Å; W458-W599 AromaticContact NE1-CZ2 3.87Å; W458-W599 AromaticContact NE1-NE1 3.97Å; F462-W599 AromaticContact CE1-CE3 3.62Å; F462-W599 HydrophobicContact CE1-CE3 3.62Å; F462-W599 AromaticContact CE1-CZ3 3.93Å; F462-W599 HydrophobicContact CE1-CZ3 3.93Å; F462-W599 HydrophobicContact CE2-CE3 4.32Å; F462-W599 HydrophobicContact CE2-CZ3 4.23Å; F462-W599 HydrophobicContact CZ-CD2 4.02Å; F462-W599 AromaticContact CZ-CE3 3.18Å; F462-W599 HydrophobicContact CZ-CE3 3.18Å; F462-W599 HydrophobicContact CZ-CH2 4.32Å; F462-W599 AromaticContact CZ-CZ3 3.37Å; F462-W599 HydrophobicContact CZ-CZ3 3.37Å; I588-W599 HydrophobicContact CG2-CZ3 4.08Å; T597-W599 WeakPolarHBondContact CG2-O 3.23Å; W599-H799 PolarHBondContact NE1-O 3.02Å; W599-Y802 AromaticContact CD2-CD1 3.85Å; W599-Y802 HydrophobicContact CD2-CD1 3.85Å; W599-Y802 HydrophobicContact CD2-CE1 4.19Å; W599-Y802 AromaticContact CE2-CD1 3.63Å; W599-Y802 HydrophobicContact CE3-CD1 4.13Å; W599-Y802 HydrophobicContact CG-CD1 4.48Å; W599-Y802 HydrophobicContact CG-CE1 4.35Å; W599-Y802 VanDerWaalsContact CH2-CA 3.47Å; W599-Y802 HydrophobicContact CH2-CD1 4.14Å; W599-Y802 WeakPolarHBondContact CH2-O 3.28Å; W599-Y802 AromaticContact CZ2-CD1 3.8Å; W599-Y802 HydrophobicContact CZ2-CD1 3.8Å; W599-Y802 HydrophobicContact CZ3-CD1 4.27Å; W599-Y802 VanDerWaalsContact O-CE1 3.25Å; W599-Y802 WeakPolarHBondContact O-CE1 3.46Å; W599-Y802 PolarHBondContact O-OH 2.96Å; W599-W804 WeakPolarHBondContact CZ2-O 3.45Å
600	M	97.4	Very high	96.2	Very high	13 Å²	13	20.2 Å²	20.2	6%	0.064	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	176	175.8	-174.5	54.7	94.8	0	0	111.5	V444 L468 L635 S639 L800	V444-M600 HydrophobicContact CB-CB 4.35Å; V444-M600 PolarHBondContact N-O 3.39Å; V444-M600 PolarHBondContact O-N 2.91Å; L468-M600 HydrophobicContact CD2-CB 3.43Å; L468-M600 VanDerWaalsContact CD2-CB 3.43Å; L468-M600 HydrophobicContact CD2-CG 4.45Å; M600-L635 HydrophobicContact CE-CB 3.69Å; M600-L635 HydrophobicContact CE-CD2 3.64Å; M600-L635 HydrophobicContact CE-CG 4.14Å; M600-L635 WeakPolarHBondContact CE-O 3.16Å; M600-L635 HydrophobicContact SD-CB 4.15Å; M600-S639 VanDerWaalsContact CE-CA 3.49Å; M600-L800 HydrophobicContact SD-CD1 4.28Å; M600-L800 HydrophobicContact SD-CD2 3.73Å
601	I	96.1	Very high	96.2	Very high	5 Å²	5	20.2 Å²	20.2	3%	0.026	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	149	173.4	-164	66.8	0	0	0	110.3	Q441 N442 I443 L603 K796 H799 L800	Q441-I601 HydrophobicContact CB-CD1 3.52Å; Q441-I601 HydrophobicContact CG-CD1 4.47Å; N442-I601 WeakPolarHBondContact O-CD1 3.08Å; I443-I601 HydrophobicContact CD1-CD1 4.23Å; I601-L603 PolarHBondContact O-N 3.45Å; I601-K796 HydrophobicContact CG1-CB 4.08Å; I601-K796 HydrophobicContact CG1-CD 4.45Å; I601-K796 HydrophobicContact CG1-CG 3.95Å; I601-K796 HydrophobicContact CG2-CB 4.28Å; I601-H799 HydrophobicContact CD1-CB 4.46Å; I601-L800 HydrophobicContact CB-CD2 4.1Å; I601-L800 HydrophobicContact CG2-CD1 3.91Å; I601-L800 HydrophobicContact CG2-CD2 3.96Å; I601-L800 HydrophobicContact CG2-CG 4.11Å
602	E	92.1	Very high	96.2	Very high	70 Å²	70	20.2 Å²	20.2	33%	0.327	12%	0.115	S	C	.	.			trans	-64	116.8	171	-65.9	175	142.5	0	0	110.1	N442 V444 K449 K796	N442-E602 PolarHBondContact ND2-OE2 3.27Å; N442-E602 VanDerWaalsContact ND2-OE2 3.09Å; V444-E602 HydrophobicContact CG2-CG 4.06Å; K449-E602 WeakPolarHBondContact CD-OE1 3.47Å; K449-E602 IonicContact NZ-OE1 3.77Å; K449-E602 PolarHBondContact NZ-OE1 2.91Å; E602-K796 WeakPolarHBondContact O-CD 3.42Å; E602-K796 VanDerWaalsContact O-CE 3.28Å; E602-K796 WeakPolarHBondContact O-CE 3.5Å; E602-K796 PolarHBondContact O-NZ 3.18Å
603	L	93.4	Very high	96	Very high	18 Å²	18	20.6 Å²	20.6	9%	0.094	12%	0.117	C	C	.	.			trans	-125	100.2	-175.5	-174.5	66.8	0	0	0	110.8	I601 L605 L608 L635 L793	I601-L603 PolarHBondContact O-N 3.45Å; L603-L605 PolarHBondContact O-N 3.06Å; L603-L608 HydrophobicContact CD1-CD2 4.38Å; L603-L608 HydrophobicContact CD2-CD2 4.24Å; L603-L635 HydrophobicContact CD2-CB 3.8Å; L603-L635 HydrophobicContact CD2-CD1 4.38Å; L603-L793 HydrophobicContact CD1-CD1 3.49Å; L603-L793 VanDerWaalsContact CD1-CD1 3.49Å
604	P	91.4	Very high	95.7	Very high	108 Å²	108	21.1 Å²	21.1	70%	0.701	12%	0.12	S	C	*	.			trans	-85.4	46.7	-176.2	36.3	-37.1	0	0	0	112
605	L	92	Very high	95.4	Very high	26 Å²	26	22.1 Å²	22.1	14%	0.136	13%	0.125	C	C	.	.			trans	-138.4	114.5	178	-72.8	176.2	0	0	0	109.7	L603 L608 Q636 L785 L793	L603-L605 PolarHBondContact O-N 3.06Å; L605-L608 HydrophobicContact CB-CB 4.31Å; L605-L608 HydrophobicContact CB-CD2 4.14Å; L605-L608 HydrophobicContact CD1-CD2 3.91Å; L605-Q636 PolarHBondContact O-OE1 3.38Å; L605-L785 HydrophobicContact CD1-CD1 4.19Å; L605-L785 HydrophobicContact CD2-CD2 4.45Å; L605-L793 HydrophobicContact CD1-CD1 4.23Å; L605-L793 HydrophobicContact CD1-CD2 3.89Å
606	S	92	Very high	95	Very high	62 Å²	62	22 Å²	22	43%	0.434	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	148.3	178.7	-49.3	0	0	0	0	112.2	L608 Q636 R679	S606-L608 VanDerWaalsContact C-N 3.25Å; S606-L608 PolarHBondContact O-N 3.05Å; S606-Q636 PolarHBondContact OG-OE1 3.12Å; S606-R679 PolarHBondContact O-NH1 3.41Å
607	G	95.3	Very high	94.6	Very high	4 Å²	4	25.2 Å²	25.2	4%	0.041	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	30.6	175.9	0	0	0	0	0	113.5	D634 Y669 S678 R679	G607-D634 PolarHBondContact N-OD2 2.81Å; G607-Y669 WeakPolarHBondContact CA-OH 3.08Å; G607-S678 PolarHBondContact O-N 3.46Å; G607-R679 PolarHBondContact O-N 3.26Å; G607-R679 VanDerWaalsContact O-N 3.09Å
608	L	97.5	Very high	94.1	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	123.6	-178	176.7	63.2	0	0	0	111.4	L603 L605 S606 R679 V681 L793	L603-L608 HydrophobicContact CD1-CD2 4.38Å; L603-L608 HydrophobicContact CD2-CD2 4.24Å; L605-L608 HydrophobicContact CB-CB 4.31Å; L605-L608 HydrophobicContact CB-CD2 4.14Å; L605-L608 HydrophobicContact CD1-CD2 3.91Å; S606-L608 VanDerWaalsContact C-N 3.25Å; S606-L608 PolarHBondContact O-N 3.05Å; L608-R679 HydrophobicContact CD1-CB 3.85Å; L608-V681 HydrophobicContact CD1-CB 4.41Å; L608-V681 HydrophobicContact CD1-CG2 3.83Å; L608-L793 HydrophobicContact CD2-CD1 4.06Å; L608-L793 HydrophobicContact CD2-CD2 4.24Å
609	M	98.6	Very high	93.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116.5	166.8	-177.8	-174.4	-171.7	0	0	109.5	I611 A631 A665 L666 Y669 P677 R679 I680 V681	M609-I611 HydrophobicContact CE-CD1 3.77Å; M609-I611 HydrophobicContact CE-CG1 4.02Å; M609-I611 HydrophobicContact CG-CD1 4.36Å; M609-I611 HydrophobicContact CG-CG1 4.01Å; M609-I611 HydrophobicContact SD-CD1 4.01Å; M609-I611 HydrophobicContact SD-CG1 4.29Å; M609-A631 HydrophobicContact CE-CB 3.34Å; M609-A631 HydrophobicContact CG-CB 4.41Å; M609-A665 HydrophobicContact CE-CB 3.31Å; M609-L666 HydrophobicContact SD-CD2 3.89Å; M609-Y669 HydrophobicContact CB-CD2 4.24Å; M609-Y669 HydrophobicContact CB-CE2 4.09Å; M609-Y669 HydrophobicContact CG-CD2 4.35Å; M609-Y669 HydrophobicContact SD-CD2 4.48Å; M609-P677 HydrophobicContact CB-CB 3.74Å; M609-P677 HydrophobicContact CB-CG 3.92Å; M609-P677 HydrophobicContact SD-CG 3.84Å; M609-R679 PolarHBondContact N-O 3Å; M609-I680 HydrophobicContact CB-CG1 4.44Å; M609-I680 VanDerWaalsContact O-CA 3.31Å; M609-I680 WeakPolarHBondContact O-CA 3.13Å; M609-V681 PolarHBondContact O-N 3.15Å
610	T	98.6	Very high	92.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	126	173.1	-50	0	0	0	0	109.6	A631 S632 V681 Y683 M797 V813	T610-A631 CarbonylContact O-C 3.55Å; T610-A631 WeakPolarHBondContact O-CA 3.44Å; T610-S632 PolarHBondContact N-OG 3.19Å; T610-S632 PolarHBondContact O-N 3.49Å; T610-V681 CarbonylContact C-O 3.53Å; T610-V681 WeakPolarHBondContact CA-O 3.37Å; T610-V681 HydrophobicContact CG2-CB 4.4Å; T610-Y683 HydrophobicContact CG2-CD2 3.74Å; T610-Y683 HydrophobicContact CG2-CE2 3.65Å; T610-M797 HydrophobicContact CG2-CE 3.68Å; T610-M797 HydrophobicContact CG2-CG 4.38Å; T610-M797 HydrophobicContact CG2-SD 4.43Å; T610-V813 HydrophobicContact CG2-CG1 4.36Å; T610-V813 HydrophobicContact CG2-CG2 3.94Å
611	I	98.7	Very high	91.7	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.1	-176.3	-54.9	179.9	0	0	0	109.6	M609 L629 I630 A631 I680 V681 F682 Y683	M609-I611 HydrophobicContact CE-CD1 3.77Å; M609-I611 HydrophobicContact CE-CG1 4.02Å; M609-I611 HydrophobicContact CG-CD1 4.36Å; M609-I611 HydrophobicContact CG-CG1 4.01Å; M609-I611 HydrophobicContact SD-CD1 4.01Å; M609-I611 HydrophobicContact SD-CG1 4.29Å; I611-L629 HydrophobicContact CG2-CD1 3.8Å; I611-L629 HydrophobicContact CG2-CD2 3.98Å; I611-L629 HydrophobicContact CG2-CG 3.7Å; I611-I630 CarbonylContact C-O 3.45Å; I611-I630 VanDerWaalsContact CA-O 3.25Å; I611-I630 WeakPolarHBondContact CA-O 3.44Å; I611-A631 HydrophobicContact CG1-CB 4.19Å; I611-I680 HydrophobicContact CD1-CG2 3.75Å; I611-I680 HydrophobicContact CG1-CG2 4.24Å; I611-V681 PolarHBondContact N-O 3.08Å; I611-F682 HydrophobicContact CB-CD2 3.75Å; I611-F682 HydrophobicContact CB-CE2 4.2Å; I611-F682 HydrophobicContact CB-CG 4.37Å; I611-F682 HydrophobicContact CD1-CD2 4.12Å; I611-F682 HydrophobicContact CG2-CD2 3.61Å; I611-F682 HydrophobicContact CG2-CE2 3.51Å; I611-F682 HydrophobicContact CG2-CG 4.48Å; I611-F682 HydrophobicContact CG2-CZ 4.32Å; I611-Y683 PolarHBondContact O-N 2.74Å
612	G	98	Very high	90.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	136.1	170.7	0	0	0	0	0	110.4	L629 I630 Y683	G612-L629 WeakPolarHBondContact O-CA 3.35Å; G612-I630 PolarHBondContact N-O 2.88Å; G612-I630 PolarHBondContact O-N 3.24Å; G612-Y683 WeakPolarHBondContact CA-O 3.29Å
613	F	95.2	Very high	90.1	Very high	7 Å²	7	51.8 Å²	51.8	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	133	178.1	-176.9	-110.2	0	0	0	111.4	I615 A628 L629 L658 M661 F682 Y683 D685	F613-I615 HydrophobicContact CD1-CD1 4.47Å; F613-I615 HydrophobicContact CE1-CD1 3.62Å; F613-I615 HydrophobicContact CE1-CG1 3.89Å; F613-I615 HydrophobicContact CZ-CD1 4.08Å; F613-I615 HydrophobicContact CZ-CG1 3.84Å; F613-A628 WeakPolarHBondContact CA-O 3.35Å; F613-A628 WeakPolarHBondContact CD2-O 3.43Å; F613-L629 HydrophobicContact CD2-CB 4.11Å; F613-L658 HydrophobicContact CD1-CD1 4.24Å; F613-L658 HydrophobicContact CD2-CD1 3.84Å; F613-L658 HydrophobicContact CE1-CD1 4.36Å; F613-L658 HydrophobicContact CE2-CD1 4.01Å; F613-L658 HydrophobicContact CG-CD1 3.99Å; F613-L658 HydrophobicContact CZ-CD1 4.26Å; F613-M661 HydrophobicContact CD2-CE 4.22Å; F613-M661 HydrophobicContact CE2-CE 3.5Å; F613-M661 VanDerWaalsContact CE2-CE 3.5Å; F613-M661 HydrophobicContact CZ-CE 4.24Å; F613-F682 HydrophobicContact CB-CE1 3.98Å; F613-F682 HydrophobicContact CB-CZ 3.63Å; F613-F682 HydrophobicContact CG-CZ 4.32Å; F613-Y683 PolarHBondContact N-O 3.33Å; F613-D685 PolarHBondContact O-N 2.95Å; F613-D685 VanDerWaalsContact O-N 3.11Å
614	D	92.3	Very high	89.8	Confident	13 Å²	13	56 Å²	56	7%	0.07	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	159.3	175.6	-162.4	6.5	0	0	0	110.3	A628 D685 A817 K818	D614-A628 PolarHBondContact N-O 3.31Å; D614-A628 PolarHBondContact O-N 2.79Å; D614-D685 HydrophobicContact CB-CB 4.44Å; D614-A817 HydrophobicContact CB-CB 4.04Å; D614-K818 HydrophobicContact CB-CB 4.33Å; D614-K818 WeakPolarHBondContact OD2-CA 3.34Å; D614-K818 WeakPolarHBondContact OD2-CB 3.38Å; D614-K818 VanDerWaalsContact OD2-CG 3.23Å; D614-K818 WeakPolarHBondContact OD2-CG 3.5Å
615	I	89.8	Confident	89.7	Confident	38 Å²	38	50.9 Å²	50.9	20%	0.195	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.8	-176.7	-63.9	128.6	0	0	0	110.1	F613 A625 Y626 V653 R684	F613-I615 HydrophobicContact CD1-CD1 4.47Å; F613-I615 HydrophobicContact CE1-CD1 3.62Å; F613-I615 HydrophobicContact CE1-CG1 3.89Å; F613-I615 HydrophobicContact CZ-CD1 4.08Å; F613-I615 HydrophobicContact CZ-CG1 3.84Å; I615-A625 HydrophobicContact CG2-CB 3.76Å; I615-Y626 WeakPolarHBondContact CA-O 3.42Å; I615-V653 HydrophobicContact CB-CG1 4.35Å; I615-V653 HydrophobicContact CD1-CG1 3.13Å; I615-V653 HydrophobicContact CG1-CG1 3.64Å; I615-V653 HydrophobicContact CG2-CG1 4.1Å; I615-R684 VanDerWaalsContact CD1-NH2 3.26Å
616	A	88.4	Confident	89.7	Confident	14 Å²	14	49.9 Å²	49.9	12%	0.116	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.9	170.5	0	0	0	0	0	111.4	A625 Y626 A821	A616-A625 CarbonylContact O-C 3.49Å; A616-A625 WeakPolarHBondContact O-CA 3.39Å; A616-Y626 PolarHBondContact N-O 2.63Å; A616-Y626 PolarHBondContact O-N 3.09Å; A616-A821 VanDerWaalsContact CB-C 3.44Å; A616-A821 HydrophobicContact CB-CB 3.77Å; A616-A821 WeakPolarHBondContact CB-O 3.42Å
617	K	87.5	Confident	89.7	Confident	147 Å²	147	46.9 Å²	46.9	64%	0.639	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	143.9	172	-68	-177.2	179.7	-176.7	0	110.2
618	S	87.5	Confident	89.7	Confident	6 Å²	6	46.7 Å²	46.7	4%	0.042	21%	0.206	C	C	.	.			trans	-70.5	134.5	172.8	179.4	0	0	0	0	110.3	R620 D621 R624 G825	S618-R620 VanDerWaalsContact C-N 3.32Å; S618-R620 PolarHBondContact OG-N 2.82Å; S618-D621 WeakPolarHBondContact CB-O 3.38Å; S618-D621 PolarHBondContact OG-N 2.76Å; S618-R624 PolarHBondContact N-O 3.01Å; S618-G825 VanDerWaalsContact CA-O 3.32Å; S618-G825 WeakPolarHBondContact CA-O 3.37Å
619	T	83	Confident	89.7	Confident	91 Å²	91	46.7 Å²	46.7	56%	0.558	21%	0.206	S	C	*	.	S	Bend	trans	-76.3	-22.6	174	56.5	0	0	0	0	112.3	G825 T826 H829	T619-G825 PolarHBondContact N-O 2.65Å; T619-G825 PolarHBondContact OG1-O 3.24Å; T619-T826 HydrophobicContact CG2-CG2 4.13Å; T619-H829 PolarHBondContact OG1-CE1 3.2Å; T619-H829 VanDerWaalsContact OG1-CE1 3.28Å
620	R	79.4	Confident	89.7	Confident	199 Å²	199	46.7 Å²	46.7	75%	0.751	21%	0.206	S	C	*	.	S	Bend	trans	-83.9	-40.5	179.5	-173.3	179.1	176.3	-161.1	-1	113.2	S618	S618-R620 VanDerWaalsContact C-N 3.32Å; S618-R620 PolarHBondContact OG-N 2.82Å
621	D	79.4	Confident	89.7	Confident	54 Å²	54	46.7 Å²	46.7	29%	0.289	21%	0.206	S	C	.	.			trans	-134.4	106.5	179.1	179.9	-1.6	0	0	0	109.9	S618 K623 R624	S618-D621 WeakPolarHBondContact CB-O 3.38Å; S618-D621 PolarHBondContact OG-N 2.76Å; D621-K623 PolarHBondContact O-N 2.78Å; D621-K623 VanDerWaalsContact O-N 3.11Å; D621-K623 WeakPolarHBondContact OD1-CB 3.32Å; D621-K623 PolarHBondContact OD1-N 2.83Å; D621-R624 HydrophobicContact CB-CB 4.49Å; D621-R624 HydrophobicContact CB-CG 4.2Å; D621-R624 PolarHBondContact O-N 2.94Å; D621-R624 WeakPolarHBondContact OD2-CD 3.34Å; D621-R624 WeakPolarHBondContact OD2-CG 3.47Å; D621-R624 IonicContact OD2-NE 3.86Å; D621-R624 PolarHBondContact OD2-NE 2.94Å
622	R	74.1	Confident	89.7	Confident	155 Å²	155	46.6 Å²	46.6	59%	0.585	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-11.4	-176	-64.2	-173.9	180	176.8	6.1	114.1	D288 R624 A650	D288-R622 IonicContact OD2-CZ 3.18Å; D288-R622 IonicContact OD2-NH1 2.96Å; D288-R622 PolarHBondContact OD2-NH1 3.17Å; R622-R624 VanDerWaalsContact C-N 3.29Å; R622-A650 WeakPolarHBondContact O-CB 3.38Å
623	K	80.3	Confident	89.7	Confident	144 Å²	144	46.6 Å²	46.6	63%	0.626	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-15.3	173.2	-57.4	-173.1	179	175.8	0	112.2	D621 A650 F651	D621-K623 PolarHBondContact O-N 2.78Å; D621-K623 VanDerWaalsContact O-N 3.11Å; D621-K623 WeakPolarHBondContact OD1-CB 3.32Å; D621-K623 PolarHBondContact OD1-N 2.83Å; K623-A650 VanDerWaalsContact O-CB 3.29Å; K623-A650 WeakPolarHBondContact O-CB 3.37Å; K623-A650 PolarHBondContact O-N 3.01Å; K623-F651 HydrophobicContact CB-CE2 3.95Å; K623-F651 HydrophobicContact CG-CE2 3.88Å; K623-F651 HydrophobicContact CG-CZ 4.36Å
624	R	85.9	Confident	89.5	Confident	106 Å²	106	46.3 Å²	46.3	40%	0.4	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	144.8	-179.1	-61.1	175	-172	-131.8	4.4	111.7	S618 D621 R622 E647	S618-R624 PolarHBondContact N-O 3.01Å; D621-R624 HydrophobicContact CB-CB 4.49Å; D621-R624 HydrophobicContact CB-CG 4.2Å; D621-R624 PolarHBondContact O-N 2.94Å; D621-R624 WeakPolarHBondContact OD2-CD 3.34Å; D621-R624 WeakPolarHBondContact OD2-CG 3.47Å; D621-R624 IonicContact OD2-NE 3.86Å; D621-R624 PolarHBondContact OD2-NE 2.94Å; R622-R624 VanDerWaalsContact C-N 3.29Å; R624-E647 WeakPolarHBondContact CD-OE1 3.43Å; R624-E647 WeakPolarHBondContact CG-OE1 3.38Å; R624-E647 IonicContact CZ-OE1 3.21Å; R624-E647 IonicContact NE-OE1 2.82Å; R624-E647 PolarHBondContact NE-OE1 3.11Å; R624-E647 IonicContact NH1-OE1 3.7Å; R624-E647 PolarHBondContact NH1-OE1 3.28Å; R624-E647 IonicContact NH1-OE2 2.65Å; R624-E647 PolarHBondContact NH1-OE2 3.37Å
625	A	89.5	Confident	89.6	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	164.1	168.5	0	0	0	0	0	109.7	I615 A616 C648 A650	I615-A625 HydrophobicContact CG2-CB 3.76Å; A616-A625 CarbonylContact O-C 3.49Å; A616-A625 WeakPolarHBondContact O-CA 3.39Å; A625-C648 PolarHBondContact N-O 2.99Å; A625-C648 PolarHBondContact O-N 2.79Å; A625-C648 VanDerWaalsContact O-O 3.08Å; A625-A650 HydrophobicContact CB-CB 4.28Å
626	Y	92.3	Very high	89.4	Confident	4 Å²	4	49 Å²	49	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.5	178.1	-64.1	-83.3	0	0	0	109.1	I615 A616 V645 T646 E647 V824 H829	I615-Y626 WeakPolarHBondContact CA-O 3.42Å; A616-Y626 PolarHBondContact N-O 2.63Å; A616-Y626 PolarHBondContact O-N 3.09Å; Y626-V645 HydrophobicContact CD1-CG1 4.39Å; Y626-T646 WeakPolarHBondContact CA-O 3.29Å; Y626-E647 HydrophobicContact CD1-CB 4.17Å; Y626-E647 HydrophobicContact CD1-CG 4.47Å; Y626-E647 HydrophobicContact CE1-CB 3.99Å; Y626-E647 HydrophobicContact CE1-CG 4.09Å; Y626-V824 HydrophobicContact CD1-CG1 3.44Å; Y626-V824 VanDerWaalsContact CD1-CG1 3.44Å; Y626-V824 HydrophobicContact CD2-CG1 3.89Å; Y626-V824 HydrophobicContact CE1-CG1 3.72Å; Y626-V824 HydrophobicContact CE2-CG1 4.13Å; Y626-V824 HydrophobicContact CG-CB 4.3Å; Y626-V824 HydrophobicContact CG-CG1 3.52Å; Y626-H829 VanDerWaalsContact OH-C 3.25Å; Y626-H829 PolarHBondContact OH-O 3.39Å
627	G	92.8	Very high	89.3	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	127.4	171.8	0	0	0	0	0	109.7	V645 T646	G627-V645 WeakPolarHBondContact O-CA 3.46Å; G627-V645 WeakPolarHBondContact O-CG1 3.32Å; G627-T646 PolarHBondContact N-O 3.22Å; G627-T646 PolarHBondContact O-N 3.21Å
628	A	95.5	Very high	89.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.7	176.5	0	0	0	0	0	110.4	F613 D614 T644 V645 A817 L820 A821	F613-A628 WeakPolarHBondContact CA-O 3.35Å; F613-A628 WeakPolarHBondContact CD2-O 3.43Å; D614-A628 PolarHBondContact N-O 3.31Å; D614-A628 PolarHBondContact O-N 2.79Å; A628-T644 WeakPolarHBondContact CA-O 3.32Å; A628-V645 HydrophobicContact CB-CG2 4.06Å; A628-A817 WeakPolarHBondContact CB-O 3.02Å; A628-A817 WeakPolarHBondContact O-CB 3.46Å; A628-L820 HydrophobicContact CB-CB 4.07Å; A628-L820 HydrophobicContact CB-CD2 4.1Å; A628-L820 HydrophobicContact CB-CG 3.93Å; A628-A821 HydrophobicContact CB-CB 3.74Å
629	L	97.3	Very high	89.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.4	176.8	-174.8	146.8	0	0	0	110	I611 G612 F613 A631 S643 T644 L658 M661 I662 A665 F682	I611-L629 HydrophobicContact CG2-CD1 3.8Å; I611-L629 HydrophobicContact CG2-CD2 3.98Å; I611-L629 HydrophobicContact CG2-CG 3.7Å; G612-L629 WeakPolarHBondContact O-CA 3.35Å; F613-L629 HydrophobicContact CD2-CB 4.11Å; L629-A631 HydrophobicContact CD2-CB 4.22Å; L629-S643 WeakPolarHBondContact O-CA 3.38Å; L629-T644 HydrophobicContact CB-CG2 4.1Å; L629-T644 HydrophobicContact CD2-CG2 4.47Å; L629-T644 PolarHBondContact N-O 2.99Å; L629-T644 PolarHBondContact O-N 3.25Å; L629-L658 HydrophobicContact CD1-CD1 3.81Å; L629-M661 HydrophobicContact CB-CB 3.98Å; L629-M661 HydrophobicContact CB-CE 4.41Å; L629-M661 HydrophobicContact CB-SD 3.98Å; L629-M661 HydrophobicContact CD1-CB 3.94Å; L629-M661 HydrophobicContact CG-CB 4.4Å; L629-I662 HydrophobicContact CD1-CG1 3.6Å; L629-A665 HydrophobicContact CD2-CB 4.13Å; L629-F682 HydrophobicContact CD1-CE2 4.36Å
630	I	98.5	Very high	89.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.9	175	-51.4	-62.7	0	0	0	108.3	I611 G612 Y641 F642 V813 Y816 A817 L820 Y842	I611-I630 CarbonylContact C-O 3.45Å; I611-I630 VanDerWaalsContact CA-O 3.25Å; I611-I630 WeakPolarHBondContact CA-O 3.44Å; G612-I630 PolarHBondContact N-O 2.88Å; G612-I630 PolarHBondContact O-N 3.24Å; I630-Y641 HydrophobicContact CG2-CD1 3.93Å; I630-F642 CarbonylContact C-O 3.52Å; I630-F642 WeakPolarHBondContact CA-O 3.42Å; I630-V813 HydrophobicContact CG2-CG1 4.45Å; I630-Y816 HydrophobicContact CG2-CD2 4.45Å; I630-A817 HydrophobicContact CG1-CB 3.91Å; I630-L820 HydrophobicContact CD1-CD2 3.76Å; I630-Y842 HydrophobicContact CD1-CE1 4.29Å; I630-Y842 WeakPolarHBondContact CD1-OH 3.33Å
631	A	98.6	Very high	90.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.4	179.1	0	0	0	0	0	111.4	M609 T610 I611 L629 Y641 F642 A665	M609-A631 HydrophobicContact CE-CB 3.34Å; M609-A631 HydrophobicContact CG-CB 4.41Å; T610-A631 CarbonylContact O-C 3.55Å; T610-A631 WeakPolarHBondContact O-CA 3.44Å; I611-A631 HydrophobicContact CG1-CB 4.19Å; L629-A631 HydrophobicContact CD2-CB 4.22Å; A631-Y641 CarbonylContact O-C 3.59Å; A631-Y641 WeakPolarHBondContact O-CA 3.46Å; A631-F642 PolarHBondContact N-O 3.44Å; A631-F642 PolarHBondContact O-N 3.43Å; A631-A665 HydrophobicContact CB-CB 3.81Å
632	S	98.4	Very high	91.7	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	148	171.4	68.4	0	0	0	0	112.1	T610	T610-S632 PolarHBondContact N-OG 3.19Å; T610-S632 PolarHBondContact O-N 3.49Å
633	M	97.1	Very high	92.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-107.9	71.2	179.6	-59.1	-41	-156.7	0	0	112.7	N638 T640 F642 A665 Q668 Y669 H673	M633-N638 WeakPolarHBondContact O-CB 3.33Å; M633-T640 PolarHBondContact N-O 2.86Å; M633-F642 HydrophobicContact CE-CB 3.26Å; M633-F642 HydrophobicContact CE-CD2 4.45Å; M633-F642 HydrophobicContact CE-CG 3.91Å; M633-F642 HydrophobicContact SD-CB 4.38Å; M633-A665 WeakPolarHBondContact CE-O 3.31Å; M633-Q668 HydrophobicContact CE-CB 3.54Å; M633-Q668 HydrophobicContact CE-CG 3.44Å; M633-Q668 VanDerWaalsContact CE-CG 3.44Å; M633-Y669 HydrophobicContact SD-CD2 3.76Å; M633-Y669 HydrophobicContact SD-CG 4.25Å; M633-H673 PolarHBondContact O-CE1 2.89Å; M633-H673 PolarHBondContact O-NE2 3.22Å
634	D	92	Very high	93.6	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	10%	0.101	C	C	.	.			trans	54.4	77.1	-176.9	-158	-14.7	0	0	0	113.3	G607 Q636 Q637 N638 Y669	G607-D634 PolarHBondContact N-OD2 2.81Å; D634-Q636 PolarHBondContact O-N 3.11Å; D634-Q636 PolarHBondContact OD1-N 2.96Å; D634-Q637 PolarHBondContact O-N 3.25Å; D634-N638 CarbonylContact C-O 3.58Å; D634-N638 CarbonylContact O-C 3.52Å; D634-N638 PolarHBondContact O-N 3.42Å; D634-Y669 HydrophobicContact CB-CE2 4.09Å; D634-Y669 WeakPolarHBondContact CB-OH 3.35Å; D634-Y669 PolarHBondContact OD2-OH 3.19Å
635	L	93.9	Very high	94.1	Very high	9 Å²	9	16.7 Å²	16.7	5%	0.047	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-17.4	-175.1	-63.6	179.4	0	0	0	114.2	M600 L603 Y641 M797 L800	M600-L635 HydrophobicContact CE-CB 3.69Å; M600-L635 HydrophobicContact CE-CD2 3.64Å; M600-L635 HydrophobicContact CE-CG 4.14Å; M600-L635 WeakPolarHBondContact CE-O 3.16Å; M600-L635 HydrophobicContact SD-CB 4.15Å; L603-L635 HydrophobicContact CD2-CB 3.8Å; L603-L635 HydrophobicContact CD2-CD1 4.38Å; L635-Y641 HydrophobicContact CD2-CE2 4.04Å; L635-M797 HydrophobicContact CD1-CE 3.94Å; L635-M797 HydrophobicContact CD1-SD 4.34Å; L635-L800 HydrophobicContact CD1-CD1 3.68Å
636	Q	85.6	Confident	94.2	Very high	99 Å²	99	18.2 Å²	18.2	46%	0.463	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-33.5	173.8	-172.1	-177.4	-9.1	0	0	112.2	L605 S606 D634	L605-Q636 PolarHBondContact O-OE1 3.38Å; S606-Q636 PolarHBondContact OG-OE1 3.12Å; D634-Q636 PolarHBondContact O-N 3.11Å; D634-Q636 PolarHBondContact OD1-N 2.96Å
637	Q	85.8	Confident	94.1	Very high	125 Å²	125	21.3 Å²	21.3	58%	0.584	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109	-41.6	-175.9	-59.1	-167.8	-0	0	0	112.6	D634	D634-Q637 PolarHBondContact O-N 3.25Å
638	N	85.5	Confident	93.7	Very high	42 Å²	42	21.9 Å²	21.9	23%	0.225	11%	0.112	C	C	.	.			trans	-134	112.2	-175.8	174.2	0.2	0	0	0	109.3	M633 D634 T640 E672	M633-N638 WeakPolarHBondContact O-CB 3.33Å; D634-N638 CarbonylContact C-O 3.58Å; D634-N638 CarbonylContact O-C 3.52Å; D634-N638 PolarHBondContact O-N 3.42Å; N638-T640 PolarHBondContact ND2-OG1 3.47Å; N638-T640 PolarHBondContact O-N 2.94Å; N638-T640 WeakPolarHBondContact OD1-CB 3.11Å; N638-T640 WeakPolarHBondContact OD1-CG2 3.35Å; N638-T640 PolarHBondContact OD1-N 3.28Å; N638-T640 PolarHBondContact OD1-OG1 3.14Å; N638-E672 PolarHBondContact ND2-OE2 2.83Å
639	S	89.7	Confident	92.9	Very high	18 Å²	18	24.3 Å²	24.3	13%	0.126	13%	0.129	C	C	.	.			trans	-80	29.9	-171.6	59.8	0	0	0	0	114.5	T597 M600	T597-S639 WeakPolarHBondContact CB-OG 3.4Å; T597-S639 PolarHBondContact OG1-O 3.2Å; T597-S639 PolarHBondContact OG1-OG 3.2Å; T597-S639 VanDerWaalsContact OG1-OG 3.1Å; M600-S639 VanDerWaalsContact CE-CA 3.49Å
640	T	95.3	Very high	91.5	Very high	22 Å²	22	25.1 Å²	25.1	14%	0.135	14%	0.136	C	C	.	.			trans	-110.7	168	-172.4	63.7	0	0	0	0	113.5	M633 N638 K838	M633-T640 PolarHBondContact N-O 2.86Å; N638-T640 PolarHBondContact ND2-OG1 3.47Å; N638-T640 PolarHBondContact O-N 2.94Å; N638-T640 WeakPolarHBondContact OD1-CB 3.11Å; N638-T640 WeakPolarHBondContact OD1-CG2 3.35Å; N638-T640 PolarHBondContact OD1-N 3.28Å; N638-T640 PolarHBondContact OD1-OG1 3.14Å; T640-K838 PolarHBondContact OG1-NZ 3.38Å
641	Y	98.3	Very high	89.7	Confident	6 Å²	6	32.4 Å²	32.4	2%	0.024	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	155.9	179.7	-64.1	-103	0	0	0	110.3	I630 A631 L635 Y802 V813 Y816 K838 F840	I630-Y641 HydrophobicContact CG2-CD1 3.93Å; A631-Y641 CarbonylContact O-C 3.59Å; A631-Y641 WeakPolarHBondContact O-CA 3.46Å; L635-Y641 HydrophobicContact CD2-CE2 4.04Å; Y641-Y802 HydrophobicContact CE2-CE2 4.22Å; Y641-V813 HydrophobicContact CD1-CG1 4.19Å; Y641-V813 HydrophobicContact CE1-CG1 3.75Å; Y641-Y816 HydrophobicContact CE1-CE2 4.5Å; Y641-K838 WeakPolarHBondContact O-CE 3.36Å; Y641-F840 AromaticContact CD2-CE1 3.93Å; Y641-F840 HydrophobicContact CD2-CE1 3.93Å; Y641-F840 HydrophobicContact CD2-CE2 4.06Å; Y641-F840 AromaticContact CD2-CZ 3.2Å; Y641-F840 HydrophobicContact CD2-CZ 3.2Å; Y641-F840 AromaticContact CE2-CZ 3.74Å; Y641-F840 HydrophobicContact CE2-CZ 3.74Å; Y641-F840 HydrophobicContact CG-CE1 4.11Å; Y641-F840 AromaticContact CG-CZ 3.82Å; Y641-F840 HydrophobicContact CG-CZ 3.82Å
642	F	98.5	Very high	88.1	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	140.8	168.4	171.7	-92	0	0	0	108.9	I630 A631 M633 T644 K664 A665 Q668 E837 K838	I630-F642 CarbonylContact C-O 3.52Å; I630-F642 WeakPolarHBondContact CA-O 3.42Å; A631-F642 PolarHBondContact N-O 3.44Å; A631-F642 PolarHBondContact O-N 3.43Å; M633-F642 HydrophobicContact CE-CB 3.26Å; M633-F642 HydrophobicContact CE-CD2 4.45Å; M633-F642 HydrophobicContact CE-CG 3.91Å; M633-F642 HydrophobicContact SD-CB 4.38Å; F642-T644 HydrophobicContact CE1-CG2 3.88Å; F642-K664 HydrophobicContact CE1-CB 4.15Å; F642-K664 HydrophobicContact CZ-CB 3.89Å; F642-A665 HydrophobicContact CD1-CB 3.66Å; F642-A665 HydrophobicContact CE1-CB 3.91Å; F642-Q668 HydrophobicContact CD2-CB 3.99Å; F642-Q668 HydrophobicContact CD2-CG 3.77Å; F642-Q668 HydrophobicContact CE2-CB 4.23Å; F642-Q668 HydrophobicContact CE2-CG 4.32Å; F642-Q668 HydrophobicContact CG-CB 4.46Å; F642-Q668 HydrophobicContact CG-CG 4.39Å; F642-E837 CarbonylContact C-O 3.59Å; F642-E837 WeakPolarHBondContact CA-O 3.34Å; F642-E837 HydrophobicContact CD2-CB 3.85Å; F642-E837 HydrophobicContact CE2-CB 3.62Å; F642-E837 HydrophobicContact CE2-CG 3.94Å; F642-E837 WeakPolarHBondContact CE2-OE2 3.4Å; F642-E837 HydrophobicContact CZ-CB 4.43Å; F642-E837 HydrophobicContact CZ-CG 4.35Å; F642-K838 HydrophobicContact CB-CD 4.32Å; F642-K838 HydrophobicContact CD2-CD 4.37Å
643	S	98.1	Very high	86.2	Confident	3 Å²	3	38.5 Å²	38.5	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	137.3	-175.7	58.7	0	0	0	0	110.5	L629 E837	L629-S643 WeakPolarHBondContact O-CA 3.38Å; S643-E837 PolarHBondContact N-O 3.2Å; S643-E837 WeakPolarHBondContact O-CG 3.44Å; S643-E837 PolarHBondContact OG-O 3.47Å
644	T	97.3	Very high	84.5	Confident	10 Å²	10	40.9 Å²	40.9	6%	0.061	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	156.8	176.6	-164.2	0	0	0	0	110.8	A628 L629 F642 M661 K664	A628-T644 WeakPolarHBondContact CA-O 3.32Å; L629-T644 HydrophobicContact CB-CG2 4.1Å; L629-T644 HydrophobicContact CD2-CG2 4.47Å; L629-T644 PolarHBondContact N-O 2.99Å; L629-T644 PolarHBondContact O-N 3.25Å; F642-T644 HydrophobicContact CE1-CG2 3.88Å; T644-M661 HydrophobicContact CG2-CB 3.47Å; T644-M661 VanDerWaalsContact CG2-CB 3.47Å; T644-M661 HydrophobicContact CG2-CG 3.5Å; T644-M661 HydrophobicContact CG2-SD 3.89Å; T644-K664 PolarHBondContact OG1-NZ 2.87Å
645	V	95.6	Very high	82.6	Confident	9 Å²	9	42.7 Å²	42.7	6%	0.055	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	142	-176.5	-172.7	0	0	0	0	109.4	Y626 G627 A628 L820 V824	Y626-V645 HydrophobicContact CD1-CG1 4.39Å; G627-V645 WeakPolarHBondContact O-CA 3.46Å; G627-V645 WeakPolarHBondContact O-CG1 3.32Å; A628-V645 HydrophobicContact CB-CG2 4.06Å; V645-L820 HydrophobicContact CG2-CD1 3.73Å; V645-L820 HydrophobicContact CG2-CD2 3.43Å; V645-L820 VanDerWaalsContact CG2-CD2 3.43Å; V645-L820 HydrophobicContact CG2-CG 3.39Å; V645-V824 HydrophobicContact CG1-CB 4.4Å; V645-V824 HydrophobicContact CG1-CG1 4.23Å; V645-V824 HydrophobicContact CG1-CG2 4.12Å; V645-V824 HydrophobicContact CG2-CG2 4.22Å
646	T	93.1	Very high	81.1	Confident	32 Å²	32	47.4 Å²	47.4	20%	0.196	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	151.2	171.2	-169.7	0	0	0	0	110.7	Y626 G627 M661	Y626-T646 WeakPolarHBondContact CA-O 3.29Å; G627-T646 PolarHBondContact N-O 3.22Å; G627-T646 PolarHBondContact O-N 3.21Å; T646-M661 HydrophobicContact CG2-CE 3.52Å; T646-M661 HydrophobicContact CG2-CG 4.44Å; T646-M661 HydrophobicContact CG2-SD 3.68Å
647	E	90.5	Very high	80.8	Confident	69 Å²	69	44.8 Å²	44.8	32%	0.322	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	142	166.5	-171.5	173.1	155.2	0	0	109.4	R624 Y626	R624-E647 WeakPolarHBondContact CD-OE1 3.43Å; R624-E647 WeakPolarHBondContact CG-OE1 3.38Å; R624-E647 IonicContact CZ-OE1 3.21Å; R624-E647 IonicContact NE-OE1 2.82Å; R624-E647 PolarHBondContact NE-OE1 3.11Å; R624-E647 IonicContact NH1-OE1 3.7Å; R624-E647 PolarHBondContact NH1-OE1 3.28Å; R624-E647 IonicContact NH1-OE2 2.65Å; R624-E647 PolarHBondContact NH1-OE2 3.37Å; Y626-E647 HydrophobicContact CD1-CB 4.17Å; Y626-E647 HydrophobicContact CD1-CG 4.47Å; Y626-E647 HydrophobicContact CE1-CB 3.99Å; Y626-E647 HydrophobicContact CE1-CG 4.09Å
648	C	83.7	Confident	81	Confident	13 Å²	13	39.7 Å²	39.7	9%	0.088	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	162.5	175	64.6	0	0	0	0	110.9	A625	A625-C648 PolarHBondContact N-O 2.99Å; A625-C648 PolarHBondContact O-N 2.79Å; A625-C648 VanDerWaalsContact O-O 3.08Å
649	S	78.4	Confident	81.3	Confident	51 Å²	51	39.2 Å²	39.2	36%	0.357	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	133.2	174	175.2	0	0	0	0	110.2	F651 D652 V653	S649-F651 PolarHBondContact O-N 3.38Å; S649-F651 PolarHBondContact OG-N 2.86Å; S649-D652 CarbonylContact O-C 3.56Å; S649-D652 PolarHBondContact O-N 2.61Å; S649-D652 PolarHBondContact OG-N 3.42Å; S649-V653 WeakPolarHBondContact O-CG2 3.46Å
650	A	68.1	Low	81.5	Confident	16 Å²	16	41.6 Å²	41.6	13%	0.132	23%	0.233	C	C	.	.	S	Bend	trans	-68.5	-15.3	174	0	0	0	0	0	113.1	R622 K623 A625	R622-A650 WeakPolarHBondContact O-CB 3.38Å; K623-A650 VanDerWaalsContact O-CB 3.29Å; K623-A650 WeakPolarHBondContact O-CB 3.37Å; K623-A650 PolarHBondContact O-N 3.01Å; A625-A650 HydrophobicContact CB-CB 4.28Å
651	F	60.3	Low	81.5	Confident	153 Å²	153	40.8 Å²	40.8	67%	0.671	23%	0.227	S	C	*	.	S	Bend	trans	-98.7	-22.2	179.3	-55.9	-73.1	0	0	0	113	K623 S649	K623-F651 HydrophobicContact CB-CE2 3.95Å; K623-F651 HydrophobicContact CG-CE2 3.88Å; K623-F651 HydrophobicContact CG-CZ 4.36Å; S649-F651 PolarHBondContact O-N 3.38Å; S649-F651 PolarHBondContact OG-N 2.86Å
652	D	64.8	Low	81.5	Confident	83 Å²	83	40.6 Å²	40.6	44%	0.444	23%	0.227	S	C	.	.			trans	-127.2	74.8	179.2	-165.4	-4.2	0	0	0	109.8	S649 L654 A655	S649-D652 CarbonylContact O-C 3.56Å; S649-D652 PolarHBondContact O-N 2.61Å; S649-D652 PolarHBondContact OG-N 3.42Å; D652-L654 PolarHBondContact O-N 3.23Å; D652-L654 PolarHBondContact OD1-N 2.96Å; D652-A655 HydrophobicContact CB-CB 4.25Å; D652-A655 PolarHBondContact O-N 2.86Å; D652-A655 PolarHBondContact OD1-N 2.82Å
653	V	59.3	Low	81.4	Confident	46 Å²	46	40.9 Å²	40.9	28%	0.279	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-41.2	175	174.5	0	0	0	0	112.3	I615 S649	I615-V653 HydrophobicContact CB-CG1 4.35Å; I615-V653 HydrophobicContact CD1-CG1 3.13Å; I615-V653 HydrophobicContact CG1-CG1 3.64Å; I615-V653 HydrophobicContact CG2-CG1 4.1Å; S649-V653 WeakPolarHBondContact O-CG2 3.46Å
654	L	61.2	Low	81.4	Confident	49 Å²	49	43.8 Å²	43.8	26%	0.257	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-5.3	-162	-58.5	171.6	0	0	0	111.9	D652 N656 Q694 L695 F698 E699	D652-L654 PolarHBondContact O-N 3.23Å; D652-L654 PolarHBondContact OD1-N 2.96Å; L654-N656 PolarHBondContact O-N 2.9Å; L654-Q694 HydrophobicContact CD1-CB 3.91Å; L654-L695 HydrophobicContact CD2-CD1 3.88Å; L654-F698 HydrophobicContact CD1-CD2 4.39Å; L654-E699 HydrophobicContact CD2-CG 4Å; L654-E699 WeakPolarHBondContact CD2-OE1 3Å
655	A	51.6	Low	81.4	Confident	40 Å²	40	43.3 Å²	43.3	33%	0.331	24%	0.239	S	C	.	.	S	Bend	trans	-66.8	102.6	177.8	0	0	0	0	0	112.2	D652 T657	D652-A655 HydrophobicContact CB-CB 4.25Å; D652-A655 PolarHBondContact O-N 2.86Å; D652-A655 PolarHBondContact OD1-N 2.82Å; A655-T657 PolarHBondContact O-N 3.02Å; A655-T657 PolarHBondContact O-OG1 3.2Å; A655-T657 VanDerWaalsContact O-OG1 3.1Å
656	N	62.9	Low	81.5	Confident	108 Å²	108	43.1 Å²	43.1	58%	0.578	24%	0.237	S	C	*	.	S	Bend	trans	27.7	11.4	151	-129.9	-10.9	0	0	0	122	L654 K706	L654-N656 PolarHBondContact O-N 2.9Å; N656-K706 PolarHBondContact OD1-NZ 3.44Å
657	T	79.3	Confident	81.8	Confident	44 Å²	44	48.6 Å²	48.6	27%	0.27	25%	0.254	S	S	.	.			trans	-91.1	-14.7	-179.1	54.1	0	0	0	0	112.4	A655 P660	A655-T657 PolarHBondContact O-N 3.02Å; A655-T657 PolarHBondContact O-OG1 3.2Å; A655-T657 VanDerWaalsContact O-OG1 3.1Å; T657-P660 WeakPolarHBondContact O-CD 3.11Å
658	L	88.9	Confident	82.1	Confident	18 Å²	18	47.6 Å²	47.6	9%	0.094	25%	0.25	C	C	.	.	H	α-helix	trans	-66.7	-45.3	177.9	177.8	57.7	0	0	0	112.6	F613 L629 M661 I662 F682 E699 I703	F613-L658 HydrophobicContact CD1-CD1 4.24Å; F613-L658 HydrophobicContact CD2-CD1 3.84Å; F613-L658 HydrophobicContact CE1-CD1 4.36Å; F613-L658 HydrophobicContact CE2-CD1 4.01Å; F613-L658 HydrophobicContact CG-CD1 3.99Å; F613-L658 HydrophobicContact CZ-CD1 4.26Å; L629-L658 HydrophobicContact CD1-CD1 3.81Å; L658-M661 HydrophobicContact CD1-CE 4.11Å; L658-M661 WeakPolarHBondContact O-CB 3.3Å; L658-M661 PolarHBondContact O-N 2.79Å; L658-M661 VanDerWaalsContact O-N 3.13Å; L658-I662 HydrophobicContact CD1-CD1 4.19Å; L658-I662 HydrophobicContact CD1-CG1 4.3Å; L658-I662 HydrophobicContact CD2-CD1 4.41Å; L658-I662 HydrophobicContact CG-CD1 3.9Å; L658-I662 HydrophobicContact CG-CG1 4.44Å; L658-I662 PolarHBondContact O-N 3.14Å; L658-F682 HydrophobicContact CD1-CE2 4.37Å; L658-F682 HydrophobicContact CD1-CZ 4.05Å; L658-F682 HydrophobicContact CD2-CZ 4.12Å; L658-E699 HydrophobicContact CD2-CG 4.46Å; L658-I703 HydrophobicContact CD2-CD1 3.91Å
659	W	92.9	Very high	82.8	Confident	31 Å²	31	47 Å²	47	12%	0.117	25%	0.245	C	C	.	.	H	α-helix	trans	-60.1	-46.8	-174.4	174.3	-102.6	0	0	0	114.2	M661 I662 A663 K706 L707 E710	W659-M661 PolarHBondContact O-N 3.29Å; W659-M661 VanDerWaalsContact O-N 3.14Å; W659-I662 HydrophobicContact CE3-CB 4.27Å; W659-I662 HydrophobicContact CE3-CD1 4.44Å; W659-I662 HydrophobicContact CE3-CG2 4.33Å; W659-I662 HydrophobicContact CZ3-CB 4.48Å; W659-I662 HydrophobicContact CZ3-CG2 4.05Å; W659-I662 PolarHBondContact O-N 3.31Å; W659-A663 HydrophobicContact CZ2-CB 4.38Å; W659-A663 PolarHBondContact O-N 3.39Å; W659-K706 HydrophobicContact CB-CD 3.87Å; W659-K706 HydrophobicContact CD2-CB 3.59Å; W659-K706 HydrophobicContact CD2-CD 3.29Å; W659-K706 HydrophobicContact CD2-CG 4.1Å; W659-K706 HydrophobicContact CE3-CB 3.51Å; W659-K706 HydrophobicContact CE3-CD 3.79Å; W659-K706 HydrophobicContact CE3-CG 4.34Å; W659-K706 HydrophobicContact CG-CB 4.45Å; W659-K706 HydrophobicContact CG-CD 3.27Å; W659-K706 HydrophobicContact CG-CG 4.49Å; W659-K706 HydrophobicContact CH2-CB 3.37Å; W659-K706 VanDerWaalsContact CH2-O 3.27Å; W659-K706 WeakPolarHBondContact CH2-O 3.41Å; W659-K706 HydrophobicContact CZ2-CB 3.44Å; W659-K706 VanDerWaalsContact CZ2-CB 3.44Å; W659-K706 HydrophobicContact CZ2-CD 4.42Å; W659-K706 HydrophobicContact CZ2-CG 4.48Å; W659-K706 HydrophobicContact CZ3-CB 3.4Å; W659-L707 HydrophobicContact CH2-CD2 4.32Å; W659-L707 HydrophobicContact CH2-CG 4.44Å; W659-L707 HydrophobicContact CZ3-CD2 4.33Å; W659-L707 HydrophobicContact CZ3-CG 4.19Å; W659-E710 HydrophobicContact CH2-CG 3.71Å; W659-E710 HydrophobicContact CZ2-CG 3.33Å
660	P	93.9	Very high	83.7	Confident	69 Å²	69	47.9 Å²	47.9	45%	0.448	24%	0.244	S	C	.	.	H	α-helix	trans	-51.6	-37.1	174.5	-29.3	34.9	0	0	0	113.7	T657 K664	T657-P660 WeakPolarHBondContact O-CD 3.11Å; P660-K664 WeakPolarHBondContact O-CG 3.36Å; P660-K664 PolarHBondContact O-N 3.29Å
661	M	95.8	Very high	85	Confident	5 Å²	5	52.7 Å²	52.7	3%	0.025	26%	0.264	C	S	.	.	H	α-helix	trans	-68.8	-41.5	177.2	-65.3	-173	-73.1	0	0	112.3	F613 L629 T644 T646 L658 W659 K664 A665	F613-M661 HydrophobicContact CD2-CE 4.22Å; F613-M661 HydrophobicContact CE2-CE 3.5Å; F613-M661 VanDerWaalsContact CE2-CE 3.5Å; F613-M661 HydrophobicContact CZ-CE 4.24Å; L629-M661 HydrophobicContact CB-CB 3.98Å; L629-M661 HydrophobicContact CB-CE 4.41Å; L629-M661 HydrophobicContact CB-SD 3.98Å; L629-M661 HydrophobicContact CD1-CB 3.94Å; L629-M661 HydrophobicContact CG-CB 4.4Å; T644-M661 HydrophobicContact CG2-CB 3.47Å; T644-M661 VanDerWaalsContact CG2-CB 3.47Å; T644-M661 HydrophobicContact CG2-CG 3.5Å; T644-M661 HydrophobicContact CG2-SD 3.89Å; T646-M661 HydrophobicContact CG2-CE 3.52Å; T646-M661 HydrophobicContact CG2-CG 4.44Å; T646-M661 HydrophobicContact CG2-SD 3.68Å; L658-M661 HydrophobicContact CD1-CE 4.11Å; L658-M661 WeakPolarHBondContact O-CB 3.3Å; L658-M661 PolarHBondContact O-N 2.79Å; L658-M661 VanDerWaalsContact O-N 3.13Å; W659-M661 PolarHBondContact O-N 3.29Å; W659-M661 VanDerWaalsContact O-N 3.14Å; M661-K664 PolarHBondContact O-N 3.47Å; M661-A665 WeakPolarHBondContact O-CB 3.47Å; M661-A665 PolarHBondContact O-N 2.82Å
662	I	96.9	Very high	86.7	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-63.2	-46.3	175.1	-63.5	172.1	0	0	0	110.1	L629 L658 W659 K664 A665 L666 F682 I703	L629-I662 HydrophobicContact CD1-CG1 3.6Å; L658-I662 HydrophobicContact CD1-CD1 4.19Å; L658-I662 HydrophobicContact CD1-CG1 4.3Å; L658-I662 HydrophobicContact CD2-CD1 4.41Å; L658-I662 HydrophobicContact CG-CD1 3.9Å; L658-I662 HydrophobicContact CG-CG1 4.44Å; L658-I662 PolarHBondContact O-N 3.14Å; W659-I662 HydrophobicContact CE3-CB 4.27Å; W659-I662 HydrophobicContact CE3-CD1 4.44Å; W659-I662 HydrophobicContact CE3-CG2 4.33Å; W659-I662 HydrophobicContact CZ3-CB 4.48Å; W659-I662 HydrophobicContact CZ3-CG2 4.05Å; W659-I662 PolarHBondContact O-N 3.31Å; I662-K664 PolarHBondContact O-N 3.47Å; I662-A665 WeakPolarHBondContact O-CB 3.5Å; I662-A665 PolarHBondContact O-N 3Å; I662-A665 VanDerWaalsContact O-N 3.12Å; I662-L666 HydrophobicContact CG2-CD1 4.05Å; I662-L666 HydrophobicContact CG2-CG 4.33Å; I662-L666 WeakPolarHBondContact O-CG 3.35Å; I662-L666 PolarHBondContact O-N 3.43Å; I662-F682 HydrophobicContact CD1-CE2 3.97Å; I662-F682 HydrophobicContact CG1-CE2 4.36Å; I662-I703 HydrophobicContact CD1-CD1 3.86Å; I662-I703 HydrophobicContact CD1-CG1 3.84Å
663	A	96.8	Very high	88.2	Confident	7 Å²	7	45.4 Å²	45.4	6%	0.058	23%	0.229	C	C	.	.	H	α-helix	trans	-60.3	-42.6	178.4	0	0	0	0	0	112.1	W659 A665 L666 R667	W659-A663 HydrophobicContact CZ2-CB 4.38Å; W659-A663 PolarHBondContact O-N 3.39Å; A663-A665 VanDerWaalsContact C-N 3.34Å; A663-A665 PolarHBondContact O-N 3.34Å; A663-L666 PolarHBondContact O-N 3.03Å; A663-R667 VanDerWaalsContact O-CG 3.29Å; A663-R667 WeakPolarHBondContact O-CG 3.42Å; A663-R667 PolarHBondContact O-N 3.09Å
664	K	97.4	Very high	90	Very high	65 Å²	65	52.8 Å²	52.8	28%	0.283	25%	0.252	S	S	.	.	H	α-helix	trans	-59.4	-44.8	172.8	-74.6	178.7	69.8	-175.9	0	111.8	F642 T644 P660 M661 I662 R667 Q668 E837	F642-K664 HydrophobicContact CE1-CB 4.15Å; F642-K664 HydrophobicContact CZ-CB 3.89Å; T644-K664 PolarHBondContact OG1-NZ 2.87Å; P660-K664 WeakPolarHBondContact O-CG 3.36Å; P660-K664 PolarHBondContact O-N 3.29Å; M661-K664 PolarHBondContact O-N 3.47Å; I662-K664 PolarHBondContact O-N 3.47Å; K664-R667 PolarHBondContact O-N 3.03Å; K664-Q668 WeakPolarHBondContact O-CB 3.48Å; K664-Q668 PolarHBondContact O-N 3.48Å; K664-E837 VanDerWaalsContact CE-OE1 3.3Å; K664-E837 WeakPolarHBondContact CE-OE1 3.49Å; K664-E837 IonicContact NZ-OE1 3.67Å; K664-E837 PolarHBondContact NZ-OE1 2.87Å
665	A	98.3	Very high	91.6	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.1	-39.8	179.7	0	0	0	0	0	112.4	M609 L629 A631 M633 F642 M661 I662 A663 Q668 Y669	M609-A665 HydrophobicContact CE-CB 3.31Å; L629-A665 HydrophobicContact CD2-CB 4.13Å; A631-A665 HydrophobicContact CB-CB 3.81Å; M633-A665 WeakPolarHBondContact CE-O 3.31Å; F642-A665 HydrophobicContact CD1-CB 3.66Å; F642-A665 HydrophobicContact CE1-CB 3.91Å; M661-A665 WeakPolarHBondContact O-CB 3.47Å; M661-A665 PolarHBondContact O-N 2.82Å; I662-A665 WeakPolarHBondContact O-CB 3.5Å; I662-A665 PolarHBondContact O-N 3Å; I662-A665 VanDerWaalsContact O-N 3.12Å; A663-A665 VanDerWaalsContact C-N 3.34Å; A663-A665 PolarHBondContact O-N 3.34Å; A665-Q668 PolarHBondContact O-N 3.31Å; A665-Y669 WeakPolarHBondContact O-CB 3.33Å; A665-Y669 PolarHBondContact O-N 3.29Å
666	L	98.4	Very high	93.8	Very high	5 Å²	5	53.9 Å²	53.9	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-64.1	-44.8	174.3	-71	172.5	0	0	0	112.2	M609 I662 A663 Q668 Y669 Q670 L676 P677 I680 L707 Y711	M609-L666 HydrophobicContact SD-CD2 3.89Å; I662-L666 HydrophobicContact CG2-CD1 4.05Å; I662-L666 HydrophobicContact CG2-CG 4.33Å; I662-L666 WeakPolarHBondContact O-CG 3.35Å; I662-L666 PolarHBondContact O-N 3.43Å; A663-L666 PolarHBondContact O-N 3.03Å; L666-Q668 VanDerWaalsContact C-N 3.35Å; L666-Q668 PolarHBondContact O-N 3.29Å; L666-Y669 WeakPolarHBondContact O-CB 3.33Å; L666-Y669 PolarHBondContact O-N 3.41Å; L666-Q670 WeakPolarHBondContact O-CB 3.49Å; L666-Q670 PolarHBondContact O-N 3.37Å; L666-L676 HydrophobicContact CB-CD2 4.18Å; L666-L676 HydrophobicContact CD2-CD2 4.5Å; L666-P677 HydrophobicContact CD2-CG 3.75Å; L666-I680 HydrophobicContact CD2-CD1 4.01Å; L666-L707 HydrophobicContact CD1-CD2 3.76Å; L666-Y711 HydrophobicContact CD1-CE2 4.44Å; L666-Y711 HydrophobicContact CD2-CE2 4.43Å
667	R	97.8	Very high	95.4	Very high	146 Å²	146	48.7 Å²	48.7	55%	0.551	22%	0.22	S	C	*	.	H	α-helix	trans	-61.6	-43.7	176.2	-71.6	173.2	-169.7	169.5	3.3	111.5	A663 K664 Y669 Q670 H671	A663-R667 VanDerWaalsContact O-CG 3.29Å; A663-R667 WeakPolarHBondContact O-CG 3.42Å; A663-R667 PolarHBondContact O-N 3.09Å; K664-R667 PolarHBondContact O-N 3.03Å; R667-Y669 VanDerWaalsContact C-N 3.32Å; R667-Y669 PolarHBondContact O-N 3.46Å; R667-Q670 PolarHBondContact O-N 3.3Å; R667-H671 WeakPolarHBondContact O-CB 3.48Å; R667-H671 PolarHBondContact O-N 2.83Å
668	Q	98	Very high	96.3	Very high	48 Å²	48	49.9 Å²	49.9	22%	0.224	23%	0.23	C	C	.	.	H	α-helix	trans	-64	-39.9	176.1	-175.2	64.1	33	0	0	111.4	M633 F642 K664 A665 L666 H671 E672 K838	M633-Q668 HydrophobicContact CE-CB 3.54Å; M633-Q668 HydrophobicContact CE-CG 3.44Å; M633-Q668 VanDerWaalsContact CE-CG 3.44Å; F642-Q668 HydrophobicContact CD2-CB 3.99Å; F642-Q668 HydrophobicContact CD2-CG 3.77Å; F642-Q668 HydrophobicContact CE2-CB 4.23Å; F642-Q668 HydrophobicContact CE2-CG 4.32Å; F642-Q668 HydrophobicContact CG-CB 4.46Å; F642-Q668 HydrophobicContact CG-CG 4.39Å; K664-Q668 WeakPolarHBondContact O-CB 3.48Å; K664-Q668 PolarHBondContact O-N 3.48Å; A665-Q668 PolarHBondContact O-N 3.31Å; L666-Q668 VanDerWaalsContact C-N 3.35Å; L666-Q668 PolarHBondContact O-N 3.29Å; Q668-H671 PolarHBondContact O-N 3.48Å; Q668-E672 PolarHBondContact NE2-OE1 3.49Å; Q668-E672 PolarHBondContact O-N 3.29Å; Q668-E672 VanDerWaalsContact O-N 3.1Å; Q668-K838 HydrophobicContact CG-CD 4.11Å
669	Y	97.9	Very high	96.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.4	-48.6	176.1	-171.7	-70.4	0	0	0	110.3	G607 M609 M633 D634 A665 L666 R667 H671 E672 H673 K675 P677	G607-Y669 WeakPolarHBondContact CA-OH 3.08Å; M609-Y669 HydrophobicContact CB-CD2 4.24Å; M609-Y669 HydrophobicContact CB-CE2 4.09Å; M609-Y669 HydrophobicContact CG-CD2 4.35Å; M609-Y669 HydrophobicContact SD-CD2 4.48Å; M633-Y669 HydrophobicContact SD-CD2 3.76Å; M633-Y669 HydrophobicContact SD-CG 4.25Å; D634-Y669 HydrophobicContact CB-CE2 4.09Å; D634-Y669 WeakPolarHBondContact CB-OH 3.35Å; D634-Y669 PolarHBondContact OD2-OH 3.19Å; A665-Y669 WeakPolarHBondContact O-CB 3.33Å; A665-Y669 PolarHBondContact O-N 3.29Å; L666-Y669 WeakPolarHBondContact O-CB 3.33Å; L666-Y669 PolarHBondContact O-N 3.41Å; R667-Y669 VanDerWaalsContact C-N 3.32Å; R667-Y669 PolarHBondContact O-N 3.46Å; Y669-H671 VanDerWaalsContact C-N 3.29Å; Y669-H671 PolarHBondContact O-N 3Å; Y669-E672 PolarHBondContact O-N 3.47Å; Y669-H673 HydrophobicContact CD1-CB 4.19Å; Y669-H673 AromaticContact CD1-CD2 3.93Å; Y669-H673 HydrophobicContact CE1-CB 3.95Å; Y669-H673 AromaticContact CE1-CD2 3.84Å; Y669-H673 WeakPolarHBondContact O-CB 3.3Å; Y669-H673 PolarHBondContact O-CD2 3.25Å; Y669-H673 PolarHBondContact O-N 2.88Å; Y669-K675 VanDerWaalsContact CD1-O 3.26Å; Y669-K675 WeakPolarHBondContact CD1-O 3.47Å; Y669-K675 WeakPolarHBondContact CE1-O 3.36Å; Y669-P677 HydrophobicContact CD1-CB 4.32Å; Y669-P677 HydrophobicContact CD1-CG 4.29Å; Y669-P677 HydrophobicContact CD2-CB 4.33Å; Y669-P677 HydrophobicContact CD2-CG 4.39Å; Y669-P677 HydrophobicContact CE1-CB 3.91Å; Y669-P677 HydrophobicContact CE1-CG 4.37Å; Y669-P677 HydrophobicContact CE2-CB 3.88Å; Y669-P677 HydrophobicContact CE2-CG 4.43Å; Y669-P677 HydrophobicContact CG-CG 4.32Å
670	Q	96.9	Very high	97	Very high	70 Å²	70	51 Å²	51	33%	0.327	23%	0.233	S	C	.	.	H	α-helix	trans	-62.6	-36.2	177.6	-169.9	-178.7	7.7	0	0	112.4	L666 R667 R674 K675 L676	L666-Q670 WeakPolarHBondContact O-CB 3.49Å; L666-Q670 PolarHBondContact O-N 3.37Å; R667-Q670 PolarHBondContact O-N 3.3Å; Q670-R674 WeakPolarHBondContact O-CA 3.41Å; Q670-R674 PolarHBondContact O-N 3.33Å; Q670-K675 WeakPolarHBondContact CA-O 2.96Å; Q670-L676 HydrophobicContact CB-CD2 3.95Å; Q670-L676 HydrophobicContact CG-CD2 4.43Å
671	H	96.7	Very high	97.2	Very high	117 Å²	117	47.8 Å²	47.8	54%	0.542	21%	0.212	S	C	.	.	H	α-helix	trans	-63	-44	176.6	-177.2	79.1	0	0	0	111.8	R667 Q668 Y669	R667-H671 WeakPolarHBondContact O-CB 3.48Å; R667-H671 PolarHBondContact O-N 2.83Å; Q668-H671 PolarHBondContact O-N 3.48Å; Y669-H671 VanDerWaalsContact C-N 3.29Å; Y669-H671 PolarHBondContact O-N 3Å
672	E	96	Very high	97.3	Very high	57 Å²	57	47.7 Å²	47.7	27%	0.266	21%	0.212	S	C	.	.	H	α-helix	trans	-76.2	-37.2	-179.1	-73.7	175.5	-143.8	0	0	113.3	N638 Q668 Y669 K838	N638-E672 PolarHBondContact ND2-OE2 2.83Å; Q668-E672 PolarHBondContact NE2-OE1 3.49Å; Q668-E672 PolarHBondContact O-N 3.29Å; Q668-E672 VanDerWaalsContact O-N 3.1Å; Y669-E672 PolarHBondContact O-N 3.47Å; E672-K838 WeakPolarHBondContact OE1-CD 2.82Å; E672-K838 WeakPolarHBondContact OE1-CE 3.42Å; E672-K838 IonicContact OE1-NZ 2.96Å; E672-K838 PolarHBondContact OE1-NZ 2.86Å; E672-K838 IonicContact OE2-NZ 2.61Å; E672-K838 PolarHBondContact OE2-NZ 3.02Å
673	H	95.5	Very high	97.4	Very high	27 Å²	27	47.6 Å²	47.6	13%	0.125	21%	0.211	C	C	.	.	H	α-helix	trans	-106.9	-3.7	-171.3	-68.3	-75.8	0	0	0	114.2	M633 Y669 K675	M633-H673 PolarHBondContact O-CE1 2.89Å; M633-H673 PolarHBondContact O-NE2 3.22Å; Y669-H673 HydrophobicContact CD1-CB 4.19Å; Y669-H673 AromaticContact CD1-CD2 3.93Å; Y669-H673 HydrophobicContact CE1-CB 3.95Å; Y669-H673 AromaticContact CE1-CD2 3.84Å; Y669-H673 WeakPolarHBondContact O-CB 3.3Å; Y669-H673 PolarHBondContact O-CD2 3.25Å; Y669-H673 PolarHBondContact O-N 2.88Å; H673-K675 HydrophobicContact CB-CG 4.17Å; H673-K675 PolarHBondContact O-N 3.25Å
674	R	95.9	Very high	97.2	Very high	201 Å²	201	47.7 Å²	47.7	76%	0.758	21%	0.21	S	C	*	.	S	Bend	trans	56.5	14	-173.2	-53.7	-57.7	-174.6	179.4	-0.7	114.6	Q670	Q670-R674 WeakPolarHBondContact O-CA 3.41Å; Q670-R674 PolarHBondContact O-N 3.33Å
675	K	95.5	Very high	96.7	Very high	96 Å²	96	44.9 Å²	44.9	42%	0.417	20%	0.198	S	C	.	.	S	Bend	trans	-150.9	154	179	67.1	-169.7	174.9	-179.3	0	110.2	Y669 Q670 H673	Y669-K675 VanDerWaalsContact CD1-O 3.26Å; Y669-K675 WeakPolarHBondContact CD1-O 3.47Å; Y669-K675 WeakPolarHBondContact CE1-O 3.36Å; Q670-K675 WeakPolarHBondContact CA-O 2.96Å; H673-K675 HydrophobicContact CB-CG 4.17Å; H673-K675 PolarHBondContact O-N 3.25Å
676	L	97.9	Very high	95.5	Very high	15 Å²	15	47.5 Å²	47.5	8%	0.079	23%	0.225	C	C	.	.			trans	-75.6	156.5	170.9	-71.6	176.4	0	0	0	111.2	L666 Q670 Y711 V714	L666-L676 HydrophobicContact CB-CD2 4.18Å; L666-L676 HydrophobicContact CD2-CD2 4.5Å; Q670-L676 HydrophobicContact CB-CD2 3.95Å; Q670-L676 HydrophobicContact CG-CD2 4.43Å; L676-Y711 HydrophobicContact CB-CD1 4.42Å; L676-Y711 HydrophobicContact CB-CE1 3.71Å; L676-Y711 HydrophobicContact CD1-CD1 3.93Å; L676-Y711 HydrophobicContact CD1-CD2 3.99Å; L676-Y711 HydrophobicContact CD1-CE1 3.92Å; L676-Y711 HydrophobicContact CD1-CE2 3.98Å; L676-Y711 HydrophobicContact CD1-CG 3.97Å; L676-Y711 HydrophobicContact CG-CE1 4.46Å; L676-V714 HydrophobicContact CD1-CG2 3.49Å; L676-V714 VanDerWaalsContact CD1-CG2 3.49Å; L676-V714 HydrophobicContact CG-CG2 4.45Å
677	P	97.7	Very high	94.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.229	C	C	.	.			trans	-66.6	137.6	176.8	25.2	-30.1	0	0	0	110.9	M609 L666 Y669 R679 I680 Y711	M609-P677 HydrophobicContact CB-CB 3.74Å; M609-P677 HydrophobicContact CB-CG 3.92Å; M609-P677 HydrophobicContact SD-CG 3.84Å; L666-P677 HydrophobicContact CD2-CG 3.75Å; Y669-P677 HydrophobicContact CD1-CB 4.32Å; Y669-P677 HydrophobicContact CD1-CG 4.29Å; Y669-P677 HydrophobicContact CD2-CB 4.33Å; Y669-P677 HydrophobicContact CD2-CG 4.39Å; Y669-P677 HydrophobicContact CE1-CB 3.91Å; Y669-P677 HydrophobicContact CE1-CG 4.37Å; Y669-P677 HydrophobicContact CE2-CB 3.88Å; Y669-P677 HydrophobicContact CE2-CG 4.43Å; Y669-P677 HydrophobicContact CG-CG 4.32Å; P677-R679 VanDerWaalsContact C-N 3.3Å; P677-I680 HydrophobicContact CG-CD1 4.31Å; P677-I680 HydrophobicContact CG-CG1 4.16Å; P677-Y711 WeakPolarHBondContact CD-OH 3.22Å; P677-Y711 WeakPolarHBondContact CG-OH 3.48Å; P677-Y711 PolarHBondContact O-OH 2.99Å
678	S	96.9	Very high	92.9	Very high	69 Å²	69	44.6 Å²	44.6	48%	0.483	23%	0.227	S	C	.	.	S	Bend	trans	-75.7	-25	175.5	-49.2	0	0	0	0	112	G607 Q720	G607-S678 PolarHBondContact O-N 3.46Å; S678-Q720 PolarHBondContact O-N 3.1Å
679	R	97.8	Very high	91.3	Very high	70 Å²	70	45.9 Å²	45.9	26%	0.264	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	136.1	-174.4	-55.1	-177.4	-179.6	105.2	-2	110.8	S606 G607 L608 M609 P677 Q720 M783	S606-R679 PolarHBondContact O-NH1 3.41Å; G607-R679 PolarHBondContact O-N 3.26Å; G607-R679 VanDerWaalsContact O-N 3.09Å; L608-R679 HydrophobicContact CD1-CB 3.85Å; M609-R679 PolarHBondContact N-O 3Å; P677-R679 VanDerWaalsContact C-N 3.3Å; R679-Q720 CarbonylContact C-O 3.58Å; R679-Q720 WeakPolarHBondContact CA-O 2.99Å; R679-Q720 HydrophobicContact CG-CB 4.27Å; R679-Q720 VanDerWaalsContact NE-OE1 3.09Å; R679-M783 HydrophobicContact CB-CE 4.03Å; R679-M783 HydrophobicContact CB-SD 4.06Å; R679-M783 HydrophobicContact CG-CE 4.39Å; R679-M783 HydrophobicContact CG-SD 4.48Å
680	I	98.5	Very high	89.7	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.015	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	124.1	176.8	-56.5	-179.8	0	0	0	109.3	M609 I611 L666 P677 L707 P719 Q720 L721 A722	M609-I680 HydrophobicContact CB-CG1 4.44Å; M609-I680 VanDerWaalsContact O-CA 3.31Å; M609-I680 WeakPolarHBondContact O-CA 3.13Å; I611-I680 HydrophobicContact CD1-CG2 3.75Å; I611-I680 HydrophobicContact CG1-CG2 4.24Å; L666-I680 HydrophobicContact CD2-CD1 4.01Å; P677-I680 HydrophobicContact CG-CD1 4.31Å; P677-I680 HydrophobicContact CG-CG1 4.16Å; I680-L707 HydrophobicContact CD1-CD1 4.29Å; I680-L707 HydrophobicContact CD1-CD2 3.89Å; I680-P719 HydrophobicContact CD1-CB 4.35Å; I680-P719 HydrophobicContact CD1-CG 3.82Å; I680-P719 HydrophobicContact CG1-CB 4.35Å; I680-P719 HydrophobicContact CG1-CG 4.31Å; I680-Q720 PolarHBondContact N-O 3.46Å; I680-L721 HydrophobicContact CB-CD1 4.04Å; I680-L721 HydrophobicContact CG2-CD1 3.94Å; I680-L721 CarbonylContact O-C 3.47Å; I680-L721 WeakPolarHBondContact O-CA 3.4Å; I680-A722 PolarHBondContact O-N 3.05Å
681	V	98.6	Very high	88.6	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	116	169.3	176.2	0	0	0	0	108.4	L608 M609 T610 I611 Y683 A722 I724 M783 L793	L608-V681 HydrophobicContact CD1-CB 4.41Å; L608-V681 HydrophobicContact CD1-CG2 3.83Å; M609-V681 PolarHBondContact O-N 3.15Å; T610-V681 CarbonylContact C-O 3.53Å; T610-V681 WeakPolarHBondContact CA-O 3.37Å; T610-V681 HydrophobicContact CG2-CB 4.4Å; I611-V681 PolarHBondContact N-O 3.08Å; V681-Y683 HydrophobicContact CG1-CD2 4.07Å; V681-Y683 HydrophobicContact CG1-CE1 4.43Å; V681-Y683 HydrophobicContact CG1-CE2 3.54Å; V681-A722 HydrophobicContact CG2-CB 4.42Å; V681-I724 HydrophobicContact CG1-CD1 4.01Å; V681-M783 HydrophobicContact CG2-CE 3.87Å; V681-M783 HydrophobicContact CG2-SD 4.4Å; V681-L793 HydrophobicContact CG2-CD2 4.02Å
682	F	98.3	Very high	87.9	Confident	3 Å²	3	41.3 Å²	41.3	1%	0.013	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	115.1	-177.6	-166.1	-75.5	0	0	0	110.3	I611 F613 L629 L658 I662 R684 A722 Y723 I724	I611-F682 HydrophobicContact CB-CD2 3.75Å; I611-F682 HydrophobicContact CB-CE2 4.2Å; I611-F682 HydrophobicContact CB-CG 4.37Å; I611-F682 HydrophobicContact CD1-CD2 4.12Å; I611-F682 HydrophobicContact CG2-CD2 3.61Å; I611-F682 HydrophobicContact CG2-CE2 3.51Å; I611-F682 HydrophobicContact CG2-CG 4.48Å; I611-F682 HydrophobicContact CG2-CZ 4.32Å; F613-F682 HydrophobicContact CB-CE1 3.98Å; F613-F682 HydrophobicContact CB-CZ 3.63Å; F613-F682 HydrophobicContact CG-CZ 4.32Å; L629-F682 HydrophobicContact CD1-CE2 4.36Å; L658-F682 HydrophobicContact CD1-CE2 4.37Å; L658-F682 HydrophobicContact CD1-CZ 4.05Å; L658-F682 HydrophobicContact CD2-CZ 4.12Å; I662-F682 HydrophobicContact CD1-CE2 3.97Å; I662-F682 HydrophobicContact CG1-CE2 4.36Å; F682-R684 HydrophobicContact CD1-CB 4.34Å; F682-R684 HydrophobicContact CE1-CB 4.09Å; F682-A722 PolarHBondContact N-O 3.4Å; F682-Y723 HydrophobicContact CB-CD2 4.08Å; F682-Y723 AromaticContact CD1-CD2 3.71Å; F682-Y723 HydrophobicContact CD1-CD2 3.71Å; F682-Y723 AromaticContact CD1-CE2 3.42Å; F682-Y723 HydrophobicContact CD1-CE2 3.42Å; F682-Y723 VanDerWaalsContact CD1-CE2 3.42Å; F682-Y723 HydrophobicContact CD1-CG 4.46Å; F682-Y723 AromaticContact CD1-CZ 3.95Å; F682-Y723 HydrophobicContact CE1-CD2 4.4Å; F682-Y723 AromaticContact CE1-CE2 3.67Å; F682-Y723 HydrophobicContact CE1-CE2 3.67Å; F682-Y723 AromaticContact CG-CD2 3.98Å; F682-Y723 HydrophobicContact CG-CD2 3.98Å; F682-Y723 HydrophobicContact CG-CE2 4.06Å; F682-Y723 HydrophobicContact CZ-CE2 4.45Å; F682-I724 PolarHBondContact O-N 2.9Å
683	Y	98.1	Very high	87.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	117.4	174	-67.4	-74.8	0	0	0	111.7	T610 I611 G612 F613 V681 I724 V726 Y776 T794 M797 P811 V813 C814	T610-Y683 HydrophobicContact CG2-CD2 3.74Å; T610-Y683 HydrophobicContact CG2-CE2 3.65Å; I611-Y683 PolarHBondContact O-N 2.74Å; G612-Y683 WeakPolarHBondContact CA-O 3.29Å; F613-Y683 PolarHBondContact N-O 3.33Å; V681-Y683 HydrophobicContact CG1-CD2 4.07Å; V681-Y683 HydrophobicContact CG1-CE1 4.43Å; V681-Y683 HydrophobicContact CG1-CE2 3.54Å; Y683-I724 WeakPolarHBondContact CA-O 3.45Å; Y683-I724 HydrophobicContact CD1-CB 3.89Å; Y683-I724 HydrophobicContact CD1-CD1 4.2Å; Y683-I724 HydrophobicContact CD1-CG2 4.12Å; Y683-I724 HydrophobicContact CE1-CB 4.13Å; Y683-I724 HydrophobicContact CE1-CD1 3.62Å; Y683-I724 HydrophobicContact CE1-CG1 4.43Å; Y683-I724 HydrophobicContact CE1-CG2 4.17Å; Y683-V726 HydrophobicContact CD1-CG2 3.65Å; Y683-V726 HydrophobicContact CG-CG2 4.24Å; Y683-Y776 HydrophobicContact CD1-CD1 4.5Å; Y683-Y776 HydrophobicContact CE1-CD1 4.24Å; Y683-Y776 HydrophobicContact CE1-CE1 4.32Å; Y683-T794 HydrophobicContact CE1-CG2 3.98Å; Y683-T794 VanDerWaalsContact OH-CA 3.25Å; Y683-T794 WeakPolarHBondContact OH-CA 3.42Å; Y683-T794 WeakPolarHBondContact OH-CB 3.4Å; Y683-T794 PolarHBondContact OH-OG1 3.11Å; Y683-M797 HydrophobicContact CE2-CG 4.36Å; Y683-P811 HydrophobicContact CD1-CG 3.89Å; Y683-P811 HydrophobicContact CD2-CB 3.99Å; Y683-P811 HydrophobicContact CD2-CG 4.08Å; Y683-P811 HydrophobicContact CE1-CG 3.86Å; Y683-P811 HydrophobicContact CE2-CB 4.07Å; Y683-P811 HydrophobicContact CE2-CG 4.06Å; Y683-P811 HydrophobicContact CG-CB 4.3Å; Y683-P811 HydrophobicContact CG-CG 4Å; Y683-V813 HydrophobicContact CD2-CG2 3.99Å; Y683-C814 WeakPolarHBondContact CB-SG 3.2Å
684	R	93.9	Very high	86.6	Confident	10 Å²	10	46.8 Å²	46.8	4%	0.038	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	105.3	-179.5	-176.9	68.7	169.7	86.6	-3	111	I615 F682 V687 L695 E699 Y723 I724 V725 V726	I615-R684 VanDerWaalsContact CD1-NH2 3.26Å; F682-R684 HydrophobicContact CD1-CB 4.34Å; F682-R684 HydrophobicContact CE1-CB 4.09Å; R684-V687 HydrophobicContact CG-CG2 3.63Å; R684-L695 HydrophobicContact CG-CD2 4.4Å; R684-E699 IonicContact CZ-OE1 3.26Å; R684-E699 IonicContact NE-OE1 3.46Å; R684-E699 PolarHBondContact NE-OE1 2.82Å; R684-E699 IonicContact NE-OE2 3.84Å; R684-E699 PolarHBondContact NE-OE2 3.25Å; R684-E699 IonicContact NH2-OE1 3Å; R684-E699 PolarHBondContact NH2-OE1 3.04Å; R684-Y723 HydrophobicContact CB-CE1 3.94Å; R684-Y723 WeakPolarHBondContact CD-OH 3.27Å; R684-Y723 HydrophobicContact CG-CE1 4.37Å; R684-Y723 VanDerWaalsContact CG-OH 3.26Å; R684-Y723 WeakPolarHBondContact CG-OH 3.5Å; R684-I724 PolarHBondContact N-O 3.27Å; R684-V725 HydrophobicContact CB-CG2 4.38Å; R684-V726 PolarHBondContact O-N 2.98Å
685	D	86.7	Confident	86.1	Confident	5 Å²	5	37.4 Å²	37.4	3%	0.027	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	158.1	173.4	-166.1	-0.9	0	0	0	110.2	F613 D614 R728 C814	F613-D685 PolarHBondContact O-N 2.95Å; F613-D685 VanDerWaalsContact O-N 3.11Å; D614-D685 HydrophobicContact CB-CB 4.44Å; D685-R728 IonicContact OD1-NH1 3.61Å; D685-R728 IonicContact OD2-CZ 2.74Å; D685-R728 VanDerWaalsContact OD2-CZ 3.25Å; D685-R728 IonicContact OD2-NH1 3.9Å; D685-R728 PolarHBondContact OD2-NH1 3.18Å; D685-R728 IonicContact OD2-NH2 3.24Å; D685-R728 PolarHBondContact OD2-NH2 3.23Å; D685-C814 HydrophobicContact CB-CB 4.28Å
686	G	71.6	Confident	85.7	Confident	56 Å²	56	34.7 Å²	34.7	58%	0.577	21%	0.213	S	C	*	.	S	Bend	trans	86.3	11.3	167	0	0	0	0	0	117
687	V	75.5	Confident	85.1	Confident	17 Å²	17	37.7 Å²	37.7	10%	0.103	23%	0.227	C	C	.	.			trans	-91.5	133.7	179.2	-177.8	0	0	0	0	111.3	R684 L692 L695 V725	R684-V687 HydrophobicContact CG-CG2 3.63Å; V687-L692 HydrophobicContact CG1-CD2 4.22Å; V687-L695 HydrophobicContact CG1-CD1 4.47Å; V687-L695 HydrophobicContact CG1-CD2 4.21Å; V687-L695 HydrophobicContact CG2-CD1 3.89Å; V687-L695 HydrophobicContact CG2-CD2 4.08Å; V687-V725 HydrophobicContact CB-CG1 4.16Å
688	S	67.1	Low	84.5	Confident	72 Å²	72	44 Å²	44	50%	0.503	26%	0.255	S	S	.	.			trans	-79.4	146.6	172.8	91.4	0	0	0	0	111.1	G690 S691	S688-G690 PolarHBondContact O-N 3.06Å; S688-G690 VanDerWaalsContact O-N 3.08Å; S688-S691 PolarHBondContact O-N 2.84Å; S688-S691 VanDerWaalsContact O-N 3.09Å; S688-S691 PolarHBondContact OG-OG 3.41Å
689	S	64.4	Low	84.1	Confident	76 Å²	76	41.2 Å²	41.2	53%	0.531	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-59.7	-24.3	-178.7	60.2	0	0	0	0	114.1	S691	S689-S691 VanDerWaalsContact C-N 3.27Å; S689-S691 PolarHBondContact O-N 3.27Å
690	G	64.9	Low	83.8	Confident	42 Å²	42	37.9 Å²	37.9	43%	0.433	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-83.4	5.4	179.9	0	0	0	0	0	114.7	S688	S688-G690 PolarHBondContact O-N 3.06Å; S688-G690 VanDerWaalsContact O-N 3.08Å
691	S	73.7	Confident	83.5	Confident	41 Å²	41	42.1 Å²	42.1	29%	0.287	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-122.7	9	-180	-49.3	0	0	0	0	112.7	S688 S689 K693 Q694 L695	S688-S691 PolarHBondContact O-N 2.84Å; S688-S691 VanDerWaalsContact O-N 3.09Å; S688-S691 PolarHBondContact OG-OG 3.41Å; S689-S691 VanDerWaalsContact C-N 3.27Å; S689-S691 PolarHBondContact O-N 3.27Å; S691-K693 PolarHBondContact O-N 3.07Å; S691-Q694 PolarHBondContact O-N 3.34Å; S691-L695 WeakPolarHBondContact O-CB 3.46Å; S691-L695 PolarHBondContact O-N 2.79Å
692	L	81.7	Confident	83.2	Confident	7 Å²	7	44.5 Å²	44.5	4%	0.037	25%	0.252	C	S	.	.	H	α-helix	trans	-64.6	-39.4	-173.9	-73.7	177.3	0	0	0	112.8	V687 L695 F696 V725 L779	V687-L692 HydrophobicContact CG1-CD2 4.22Å; L692-L695 PolarHBondContact O-N 2.81Å; L692-F696 WeakPolarHBondContact O-CB 3.4Å; L692-F696 PolarHBondContact O-N 3.03Å; L692-V725 HydrophobicContact CD2-CB 4.49Å; L692-V725 HydrophobicContact CD2-CG1 4.24Å; L692-V725 HydrophobicContact CD2-CG2 4.12Å; L692-L779 HydrophobicContact CD2-CD2 4.42Å
693	K	82.9	Confident	83	Confident	102 Å²	102	44.5 Å²	44.5	44%	0.443	25%	0.253	S	S	.	.	H	α-helix	trans	-64.3	-47.6	179.2	-174.5	177.8	178.3	177.8	0	110.9	D77 S691 L695 F696 E697	D77-K693 HydrophobicContact CB-CB 4.16Å; S691-K693 PolarHBondContact O-N 3.07Å; K693-L695 PolarHBondContact O-N 3.32Å; K693-F696 PolarHBondContact O-N 3.28Å; K693-E697 WeakPolarHBondContact O-CB 3.32Å; K693-E697 WeakPolarHBondContact O-CG 3.13Å; K693-E697 PolarHBondContact O-N 2.65Å
694	Q	82.1	Confident	82.9	Confident	98 Å²	98	45.9 Å²	45.9	46%	0.458	26%	0.26	S	S	.	.	H	α-helix	trans	-60.8	-44.9	175.6	-66.2	178.1	-16.3	0	0	111.4	L654 S691 F696 E697 F698	L654-Q694 HydrophobicContact CD1-CB 3.91Å; S691-Q694 PolarHBondContact O-N 3.34Å; Q694-F696 VanDerWaalsContact C-N 3.32Å; Q694-F696 PolarHBondContact O-N 2.84Å; Q694-E697 PolarHBondContact O-N 3.21Å; Q694-F698 HydrophobicContact CB-CD2 4.25Å; Q694-F698 WeakPolarHBondContact O-CB 3.24Å; Q694-F698 WeakPolarHBondContact O-CD2 3.32Å; Q694-F698 PolarHBondContact O-N 2.83Å
695	L	85.1	Confident	83	Confident	3 Å²	3	50.2 Å²	50.2	2%	0.016	28%	0.28	C	S	.	.	H	α-helix	trans	-57.4	-45.4	176	-171.3	89.5	0	0	0	111.8	L654 R684 V687 S691 L692 K693 E699 V700 Y723 V725 L779	L654-L695 HydrophobicContact CD2-CD1 3.88Å; R684-L695 HydrophobicContact CG-CD2 4.4Å; V687-L695 HydrophobicContact CG1-CD1 4.47Å; V687-L695 HydrophobicContact CG1-CD2 4.21Å; V687-L695 HydrophobicContact CG2-CD1 3.89Å; V687-L695 HydrophobicContact CG2-CD2 4.08Å; S691-L695 WeakPolarHBondContact O-CB 3.46Å; S691-L695 PolarHBondContact O-N 2.79Å; L692-L695 PolarHBondContact O-N 2.81Å; K693-L695 PolarHBondContact O-N 3.32Å; L695-E699 HydrophobicContact CD1-CG 3.95Å; L695-E699 WeakPolarHBondContact CD1-OE1 3.47Å; L695-E699 WeakPolarHBondContact CD1-OE2 3.46Å; L695-E699 HydrophobicContact CG-CB 4.48Å; L695-E699 HydrophobicContact CG-CG 4.41Å; L695-E699 WeakPolarHBondContact O-CA 3.37Å; L695-E699 VanDerWaalsContact O-CB 3.3Å; L695-E699 WeakPolarHBondContact O-CB 3.28Å; L695-E699 PolarHBondContact O-N 3.16Å; L695-V700 PolarHBondContact O-N 3.46Å; L695-Y723 HydrophobicContact CD2-CE1 3.99Å; L695-V725 HydrophobicContact CD2-CG2 3.6Å; L695-L779 HydrophobicContact CD2-CD1 3.8Å
696	F	86.8	Confident	83.4	Confident	40 Å²	40	52 Å²	52	18%	0.175	29%	0.288	C	S	.	.	I	π-helix	trans	-63.4	-48.3	179	-176.7	-94	0	0	0	112	L79 L692 K693 Q694 V700 K701 L779	L79-F696 HydrophobicContact CD1-CB 4.43Å; L79-F696 HydrophobicContact CD1-CD1 4.12Å; L79-F696 HydrophobicContact CD1-CG 4.23Å; L79-F696 HydrophobicContact CD2-CB 3.53Å; L79-F696 HydrophobicContact CD2-CD2 4.11Å; L79-F696 HydrophobicContact CD2-CG 3.82Å; L692-F696 WeakPolarHBondContact O-CB 3.4Å; L692-F696 PolarHBondContact O-N 3.03Å; K693-F696 PolarHBondContact O-N 3.28Å; Q694-F696 VanDerWaalsContact C-N 3.32Å; Q694-F696 PolarHBondContact O-N 2.84Å; F696-V700 HydrophobicContact CD2-CB 4.03Å; F696-V700 HydrophobicContact CD2-CG1 4.18Å; F696-V700 HydrophobicContact CD2-CG2 4.07Å; F696-V700 HydrophobicContact CE2-CB 4.4Å; F696-V700 HydrophobicContact CE2-CG1 4.08Å; F696-V700 WeakPolarHBondContact O-CB 3.23Å; F696-V700 PolarHBondContact O-N 3.29Å; F696-K701 PolarHBondContact O-N 3.21Å; F696-L779 HydrophobicContact CD2-CB 4.13Å; F696-L779 WeakPolarHBondContact CE2-O 3.36Å
697	E	84.9	Confident	84.7	Confident	78 Å²	78	49.6 Å²	49.6	36%	0.364	26%	0.262	S	S	.	.	I	π-helix	trans	-64.9	-41	-178.8	-71.1	-63.7	142.2	0	0	112.8	K693 Q694 K701	K693-E697 WeakPolarHBondContact O-CB 3.32Å; K693-E697 WeakPolarHBondContact O-CG 3.13Å; K693-E697 PolarHBondContact O-N 2.65Å; Q694-E697 PolarHBondContact O-N 3.21Å; E697-K701 WeakPolarHBondContact OE1-CE 3.39Å; E697-K701 IonicContact OE1-NZ 2.72Å; E697-K701 PolarHBondContact OE1-NZ 3.45Å; E697-K701 WeakPolarHBondContact OE2-CE 3.19Å; E697-K701 IonicContact OE2-NZ 2.64Å; E697-K701 PolarHBondContact OE2-NZ 2.8Å
698	F	85	Confident	85.7	Confident	133 Å²	133	53.1 Å²	53.1	58%	0.583	28%	0.276	S	S	*	.	I	π-helix	trans	-97	-35	-173.4	-67.7	-69.3	0	0	0	114.8	L654 Q694 D702	L654-F698 HydrophobicContact CD1-CD2 4.39Å; Q694-F698 HydrophobicContact CB-CD2 4.25Å; Q694-F698 WeakPolarHBondContact O-CB 3.24Å; Q694-F698 WeakPolarHBondContact O-CD2 3.32Å; Q694-F698 PolarHBondContact O-N 2.83Å; F698-D702 VanDerWaalsContact O-CB 3.23Å; F698-D702 WeakPolarHBondContact O-CB 3.4Å
699	E	89.1	Confident	87.1	Confident	10 Å²	10	53.2 Å²	53.2	5%	0.047	27%	0.273	C	S	.	.	I	π-helix	trans	-93.4	-52.5	178.6	-63.7	-169.2	-166	0	0	111.5	L654 L658 R684 L695 I703 Y723	L654-E699 HydrophobicContact CD2-CG 4Å; L654-E699 WeakPolarHBondContact CD2-OE1 3Å; L658-E699 HydrophobicContact CD2-CG 4.46Å; R684-E699 IonicContact CZ-OE1 3.26Å; R684-E699 IonicContact NE-OE1 3.46Å; R684-E699 PolarHBondContact NE-OE1 2.82Å; R684-E699 IonicContact NE-OE2 3.84Å; R684-E699 PolarHBondContact NE-OE2 3.25Å; R684-E699 IonicContact NH2-OE1 3Å; R684-E699 PolarHBondContact NH2-OE1 3.04Å; L695-E699 HydrophobicContact CD1-CG 3.95Å; L695-E699 WeakPolarHBondContact CD1-OE1 3.47Å; L695-E699 WeakPolarHBondContact CD1-OE2 3.46Å; L695-E699 HydrophobicContact CG-CB 4.48Å; L695-E699 HydrophobicContact CG-CG 4.41Å; L695-E699 WeakPolarHBondContact O-CA 3.37Å; L695-E699 VanDerWaalsContact O-CB 3.3Å; L695-E699 WeakPolarHBondContact O-CB 3.28Å; L695-E699 PolarHBondContact O-N 3.16Å; E699-I703 WeakPolarHBondContact O-CB 3.18Å; E699-I703 WeakPolarHBondContact O-CD1 3.23Å; E699-I703 WeakPolarHBondContact O-CG1 3.32Å; E699-I703 PolarHBondContact O-N 3.49Å; E699-Y723 PolarHBondContact OE2-OH 3.42Å
700	V	91.6	Very high	88.7	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.254	C	S	.	.	I	π-helix	trans	-68.8	-48.9	-169.6	-178.5	0	0	0	0	111.6	L695 F696 D702 I703 I704 Y723 L779 Y780	L695-V700 PolarHBondContact O-N 3.46Å; F696-V700 HydrophobicContact CD2-CB 4.03Å; F696-V700 HydrophobicContact CD2-CG1 4.18Å; F696-V700 HydrophobicContact CD2-CG2 4.07Å; F696-V700 HydrophobicContact CE2-CB 4.4Å; F696-V700 HydrophobicContact CE2-CG1 4.08Å; F696-V700 WeakPolarHBondContact O-CB 3.23Å; F696-V700 PolarHBondContact O-N 3.29Å; V700-D702 VanDerWaalsContact C-N 3.35Å; V700-D702 PolarHBondContact O-N 3.49Å; V700-I703 PolarHBondContact O-N 3.23Å; V700-I704 HydrophobicContact CG1-CD1 3.93Å; V700-I704 WeakPolarHBondContact O-CG1 3.42Å; V700-I704 PolarHBondContact O-N 3.14Å; V700-Y723 HydrophobicContact CG2-CD1 3.74Å; V700-Y723 HydrophobicContact CG2-CD2 3.99Å; V700-Y723 HydrophobicContact CG2-CE1 3.93Å; V700-Y723 HydrophobicContact CG2-CE2 4.13Å; V700-Y723 HydrophobicContact CG2-CG 3.79Å; V700-L779 HydrophobicContact CG2-CD1 4.34Å; V700-Y780 HydrophobicContact CG1-CG 4.24Å
701	K	91.9	Very high	90.2	Very high	92 Å²	92	49.2 Å²	49.2	40%	0.4	24%	0.235	S	C	.	.	H	α-helix	trans	-61	-43.6	178.1	-68	-173.9	179	176.7	0	112	F696 E697 I704 E705	F696-K701 PolarHBondContact O-N 3.21Å; E697-K701 WeakPolarHBondContact OE1-CE 3.39Å; E697-K701 IonicContact OE1-NZ 2.72Å; E697-K701 PolarHBondContact OE1-NZ 3.45Å; E697-K701 WeakPolarHBondContact OE2-CE 3.19Å; E697-K701 IonicContact OE2-NZ 2.64Å; E697-K701 PolarHBondContact OE2-NZ 2.8Å; K701-I704 PolarHBondContact O-N 3.12Å; K701-E705 PolarHBondContact O-N 2.82Å
702	D	92.1	Very high	91.3	Very high	49 Å²	49	50.2 Å²	50.2	26%	0.262	25%	0.245	S	C	.	.	H	α-helix	trans	-62.1	-44.3	178.5	-176.1	64	0	0	0	112.1	F698 V700 I704 E705 K706	F698-D702 VanDerWaalsContact O-CB 3.23Å; F698-D702 WeakPolarHBondContact O-CB 3.4Å; V700-D702 VanDerWaalsContact C-N 3.35Å; V700-D702 PolarHBondContact O-N 3.49Å; D702-I704 VanDerWaalsContact C-N 3.34Å; D702-I704 PolarHBondContact O-N 2.83Å; D702-E705 PolarHBondContact O-N 2.72Å; D702-K706 VanDerWaalsContact O-CB 3.32Å; D702-K706 WeakPolarHBondContact O-CB 3.44Å; D702-K706 VanDerWaalsContact O-CG 3.25Å; D702-K706 WeakPolarHBondContact O-CG 3.5Å; D702-K706 PolarHBondContact O-N 2.87Å; D702-K706 WeakPolarHBondContact OD1-CE 3.48Å; D702-K706 IonicContact OD1-NZ 2.88Å; D702-K706 PolarHBondContact OD1-NZ 3.35Å; D702-K706 WeakPolarHBondContact OD2-CE 3.5Å; D702-K706 IonicContact OD2-NZ 3.04Å; D702-K706 PolarHBondContact OD2-NZ 3.29Å
703	I	94.4	Very high	92	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-60.8	-43.7	175.4	-71.3	167.5	0	0	0	110.9	L658 I662 E699 V700 L707 L721 Y723	L658-I703 HydrophobicContact CD2-CD1 3.91Å; I662-I703 HydrophobicContact CD1-CD1 3.86Å; I662-I703 HydrophobicContact CD1-CG1 3.84Å; E699-I703 WeakPolarHBondContact O-CB 3.18Å; E699-I703 WeakPolarHBondContact O-CD1 3.23Å; E699-I703 WeakPolarHBondContact O-CG1 3.32Å; E699-I703 PolarHBondContact O-N 3.49Å; V700-I703 PolarHBondContact O-N 3.23Å; I703-L707 HydrophobicContact CG2-CD1 3.68Å; I703-L707 HydrophobicContact CG2-CG 4.14Å; I703-L707 VanDerWaalsContact O-CB 3.25Å; I703-L707 WeakPolarHBondContact O-CB 3.15Å; I703-L707 WeakPolarHBondContact O-CG 3.33Å; I703-L707 PolarHBondContact O-N 3.32Å; I703-L721 HydrophobicContact CG2-CD2 4.1Å; I703-Y723 HydrophobicContact CD1-CD2 4.25Å; I703-Y723 HydrophobicContact CD1-CE2 3.86Å
704	I	95.8	Very high	92.6	Very high	29 Å²	29	55.2 Å²	55.2	15%	0.149	27%	0.267	C	S	.	.	H	α-helix	trans	-60.9	-50.8	179.6	-70	166	0	0	0	110.8	V700 K701 D702 K706 L707 K708 L721 Y780	V700-I704 HydrophobicContact CG1-CD1 3.93Å; V700-I704 WeakPolarHBondContact O-CG1 3.42Å; V700-I704 PolarHBondContact O-N 3.14Å; K701-I704 PolarHBondContact O-N 3.12Å; D702-I704 VanDerWaalsContact C-N 3.34Å; D702-I704 PolarHBondContact O-N 2.83Å; I704-K706 PolarHBondContact O-N 2.93Å; I704-L707 PolarHBondContact O-N 2.87Å; I704-K708 WeakPolarHBondContact O-CG 3.42Å; I704-K708 PolarHBondContact O-N 3.36Å; I704-L721 HydrophobicContact CG1-CD2 3.91Å; I704-Y780 HydrophobicContact CD1-CD1 4.09Å; I704-Y780 HydrophobicContact CD1-CD2 3.8Å; I704-Y780 HydrophobicContact CD1-CE1 3.96Å; I704-Y780 HydrophobicContact CD1-CE2 3.66Å; I704-Y780 HydrophobicContact CD1-CG 4.01Å; I704-Y780 HydrophobicContact CG1-CE1 4.31Å
705	E	95.8	Very high	93.2	Very high	101 Å²	101	59.5 Å²	59.5	47%	0.472	29%	0.287	S	S	.	.	H	α-helix	trans	-65.2	-40.4	-178.3	-69.2	-49.9	124.6	0	0	112.5	K701 D702 K708 T709	K701-E705 PolarHBondContact O-N 2.82Å; D702-E705 PolarHBondContact O-N 2.72Å; E705-K708 WeakPolarHBondContact O-CB 3.39Å; E705-K708 PolarHBondContact O-N 3.02Å; E705-K708 IonicContact OE1-NZ 3.49Å; E705-K708 PolarHBondContact OE1-NZ 2.67Å; E705-K708 IonicContact OE2-NZ 2.85Å; E705-T709 PolarHBondContact O-N 2.88Å; E705-T709 PolarHBondContact O-OG1 2.85Å
706	K	96.1	Very high	93.8	Very high	43 Å²	43	63.7 Å²	63.7	19%	0.187	31%	0.309	C	S	.	.	H	α-helix	trans	-74.1	-31.1	179.1	-65.8	-177.7	176	157.7	0	112.5	N656 W659 D702 I704 T709 E710	N656-K706 PolarHBondContact OD1-NZ 3.44Å; W659-K706 HydrophobicContact CB-CD 3.87Å; W659-K706 HydrophobicContact CD2-CB 3.59Å; W659-K706 HydrophobicContact CD2-CD 3.29Å; W659-K706 HydrophobicContact CD2-CG 4.1Å; W659-K706 HydrophobicContact CE3-CB 3.51Å; W659-K706 HydrophobicContact CE3-CD 3.79Å; W659-K706 HydrophobicContact CE3-CG 4.34Å; W659-K706 HydrophobicContact CG-CB 4.45Å; W659-K706 HydrophobicContact CG-CD 3.27Å; W659-K706 HydrophobicContact CG-CG 4.49Å; W659-K706 HydrophobicContact CH2-CB 3.37Å; W659-K706 VanDerWaalsContact CH2-O 3.27Å; W659-K706 WeakPolarHBondContact CH2-O 3.41Å; W659-K706 HydrophobicContact CZ2-CB 3.44Å; W659-K706 VanDerWaalsContact CZ2-CB 3.44Å; W659-K706 HydrophobicContact CZ2-CD 4.42Å; W659-K706 HydrophobicContact CZ2-CG 4.48Å; W659-K706 HydrophobicContact CZ3-CB 3.4Å; D702-K706 VanDerWaalsContact O-CB 3.32Å; D702-K706 WeakPolarHBondContact O-CB 3.44Å; D702-K706 VanDerWaalsContact O-CG 3.25Å; D702-K706 WeakPolarHBondContact O-CG 3.5Å; D702-K706 PolarHBondContact O-N 2.87Å; D702-K706 WeakPolarHBondContact OD1-CE 3.48Å; D702-K706 IonicContact OD1-NZ 2.88Å; D702-K706 PolarHBondContact OD1-NZ 3.35Å; D702-K706 WeakPolarHBondContact OD2-CE 3.5Å; D702-K706 IonicContact OD2-NZ 3.04Å; D702-K706 PolarHBondContact OD2-NZ 3.29Å; I704-K706 PolarHBondContact O-N 2.93Å; K706-T709 WeakPolarHBondContact O-CB 3.45Å; K706-T709 PolarHBondContact O-N 3.17Å; K706-E710 PolarHBondContact O-N 3.01Å
707	L	97.5	Very high	94.2	Very high	5 Å²	5	66.4 Å²	66.4	3%	0.026	33%	0.333	C	S	.	.	H	α-helix	trans	-63.8	-43.6	169.4	-77.9	174.1	0	0	0	111.5	W659 L666 I680 I703 I704 T709 E710 Y711 P719 L721	W659-L707 HydrophobicContact CH2-CD2 4.32Å; W659-L707 HydrophobicContact CH2-CG 4.44Å; W659-L707 HydrophobicContact CZ3-CD2 4.33Å; W659-L707 HydrophobicContact CZ3-CG 4.19Å; L666-L707 HydrophobicContact CD1-CD2 3.76Å; I680-L707 HydrophobicContact CD1-CD1 4.29Å; I680-L707 HydrophobicContact CD1-CD2 3.89Å; I703-L707 HydrophobicContact CG2-CD1 3.68Å; I703-L707 HydrophobicContact CG2-CG 4.14Å; I703-L707 VanDerWaalsContact O-CB 3.25Å; I703-L707 WeakPolarHBondContact O-CB 3.15Å; I703-L707 WeakPolarHBondContact O-CG 3.33Å; I703-L707 PolarHBondContact O-N 3.32Å; I704-L707 PolarHBondContact O-N 2.87Å; L707-T709 PolarHBondContact O-N 3.26Å; L707-E710 PolarHBondContact O-N 3.41Å; L707-Y711 HydrophobicContact CD2-CD2 4.46Å; L707-Y711 HydrophobicContact CD2-CE2 3.91Å; L707-Y711 WeakPolarHBondContact O-CD2 3.01Å; L707-Y711 PolarHBondContact O-N 3.41Å; L707-P719 HydrophobicContact CD1-CG 4.16Å; L707-P719 HydrophobicContact CD2-CG 4.26Å; L707-L721 HydrophobicContact CD1-CD1 4.48Å; L707-L721 HydrophobicContact CD1-CD2 4.13Å
708	K	97.3	Very high	94.7	Very high	91 Å²	91	65.9 Å²	65.9	40%	0.396	34%	0.336	S	S	.	.	H	α-helix	trans	-54.5	-45.8	172.3	-69.8	171.6	-177.2	170.9	0	110.9	I704 E705 A712 P718	I704-K708 WeakPolarHBondContact O-CG 3.42Å; I704-K708 PolarHBondContact O-N 3.36Å; E705-K708 WeakPolarHBondContact O-CB 3.39Å; E705-K708 PolarHBondContact O-N 3.02Å; E705-K708 IonicContact OE1-NZ 3.49Å; E705-K708 PolarHBondContact OE1-NZ 2.67Å; E705-K708 IonicContact OE2-NZ 2.85Å; K708-A712 VanDerWaalsContact O-CB 3.24Å; K708-A712 WeakPolarHBondContact O-CB 3.45Å; K708-A712 PolarHBondContact O-N 3.19Å; K708-P718 HydrophobicContact CG-CB 3.97Å; K708-P718 HydrophobicContact CG-CG 4.11Å
709	T	97.1	Very high	95.3	Very high	74 Å²	74	60.2 Å²	60.2	45%	0.454	31%	0.313	S	S	.	.	H	α-helix	trans	-63	-47.9	179.8	-55.7	0	0	0	0	112.6	E705 K706 L707 Y711 A712 R713	E705-T709 PolarHBondContact O-N 2.88Å; E705-T709 PolarHBondContact O-OG1 2.85Å; K706-T709 WeakPolarHBondContact O-CB 3.45Å; K706-T709 PolarHBondContact O-N 3.17Å; L707-T709 PolarHBondContact O-N 3.26Å; T709-Y711 PolarHBondContact O-N 2.86Å; T709-A712 PolarHBondContact O-N 3.41Å; T709-R713 WeakPolarHBondContact O-CG 3.37Å; T709-R713 PolarHBondContact O-N 2.9Å
710	E	96.4	Very high	95.7	Very high	28 Å²	28	62.9 Å²	62.9	13%	0.131	33%	0.325	C	S	.	.	H	α-helix	trans	-66.8	-36.1	-179.9	-70.1	-67.7	168.4	0	0	113	W659 K706 L707 R713	W659-E710 HydrophobicContact CH2-CG 3.71Å; W659-E710 HydrophobicContact CZ2-CG 3.33Å; K706-E710 PolarHBondContact O-N 3.01Å; L707-E710 PolarHBondContact O-N 3.41Å; E710-R713 WeakPolarHBondContact O-CB 3.2Å; E710-R713 PolarHBondContact O-N 3.43Å; E710-R713 IonicContact OE1-CZ 2.69Å; E710-R713 IonicContact OE1-NH1 3.53Å; E710-R713 PolarHBondContact OE1-NH1 3.4Å; E710-R713 IonicContact OE2-CZ 3.71Å; E710-R713 IonicContact OE2-NH1 3.02Å; E710-R713 PolarHBondContact OE2-NH1 2.92Å
711	Y	97.6	Very high	96	Very high	5 Å²	5	63.1 Å²	63.1	2%	0.02	33%	0.326	C	S	.	.	H	α-helix	trans	-75.1	-34.7	178.8	-79	-114.7	0	0	0	111.1	L666 L676 P677 L707 T709 R713 V714 Q715 L716 S717 P719	L666-Y711 HydrophobicContact CD1-CE2 4.44Å; L666-Y711 HydrophobicContact CD2-CE2 4.43Å; L676-Y711 HydrophobicContact CB-CD1 4.42Å; L676-Y711 HydrophobicContact CB-CE1 3.71Å; L676-Y711 HydrophobicContact CD1-CD1 3.93Å; L676-Y711 HydrophobicContact CD1-CD2 3.99Å; L676-Y711 HydrophobicContact CD1-CE1 3.92Å; L676-Y711 HydrophobicContact CD1-CE2 3.98Å; L676-Y711 HydrophobicContact CD1-CG 3.97Å; L676-Y711 HydrophobicContact CG-CE1 4.46Å; P677-Y711 WeakPolarHBondContact CD-OH 3.22Å; P677-Y711 WeakPolarHBondContact CG-OH 3.48Å; P677-Y711 PolarHBondContact O-OH 2.99Å; L707-Y711 HydrophobicContact CD2-CD2 4.46Å; L707-Y711 HydrophobicContact CD2-CE2 3.91Å; L707-Y711 WeakPolarHBondContact O-CD2 3.01Å; L707-Y711 PolarHBondContact O-N 3.41Å; T709-Y711 PolarHBondContact O-N 2.86Å; Y711-R713 VanDerWaalsContact C-N 3.28Å; Y711-R713 PolarHBondContact O-N 3.36Å; Y711-V714 CarbonylContact O-C 3.47Å; Y711-V714 WeakPolarHBondContact O-CG2 3.5Å; Y711-V714 PolarHBondContact O-N 3.48Å; Y711-V714 VanDerWaalsContact O-N 3.1Å; Y711-Q715 PolarHBondContact O-N 3.43Å; Y711-L716 CarbonylContact C-O 3.58Å; Y711-L716 VanDerWaalsContact C-O 3.3Å; Y711-L716 HydrophobicContact CD1-CB 4.18Å; Y711-L716 PolarHBondContact O-N 3.21Å; Y711-S717 VanDerWaalsContact CD1-O 3.28Å; Y711-S717 WeakPolarHBondContact CD1-O 3.18Å; Y711-P719 HydrophobicContact CD2-CG 4.3Å; Y711-P719 HydrophobicContact CE1-CB 3.76Å; Y711-P719 HydrophobicContact CE1-CG 3.92Å; Y711-P719 HydrophobicContact CE2-CB 4.39Å; Y711-P719 HydrophobicContact CE2-CG 3.67Å; Y711-P719 VanDerWaalsContact CZ-CG 3.44Å
712	A	97.2	Very high	96.3	Very high	62 Å²	62	58.7 Å²	58.7	51%	0.512	31%	0.307	S	S	.	.	H	α-helix	trans	-62	-33.1	172.2	0	0	0	0	0	112.8	K708 T709 V714 Q715	K708-A712 VanDerWaalsContact O-CB 3.24Å; K708-A712 WeakPolarHBondContact O-CB 3.45Å; K708-A712 PolarHBondContact O-N 3.19Å; T709-A712 PolarHBondContact O-N 3.41Å; A712-V714 PolarHBondContact O-N 3.16Å; A712-Q715 PolarHBondContact O-N 2.97Å
713	R	95.3	Very high	96.5	Very high	160 Å²	160	56.4 Å²	56.4	60%	0.604	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.6	174.3	-73.3	177.4	179.9	160.6	2.8	113.5	T709 E710 Y711	T709-R713 WeakPolarHBondContact O-CG 3.37Å; T709-R713 PolarHBondContact O-N 2.9Å; E710-R713 WeakPolarHBondContact O-CB 3.2Å; E710-R713 PolarHBondContact O-N 3.43Å; E710-R713 IonicContact OE1-CZ 2.69Å; E710-R713 IonicContact OE1-NH1 3.53Å; E710-R713 PolarHBondContact OE1-NH1 3.4Å; E710-R713 IonicContact OE2-CZ 3.71Å; E710-R713 IonicContact OE2-NH1 3.02Å; E710-R713 PolarHBondContact OE2-NH1 2.92Å; Y711-R713 VanDerWaalsContact C-N 3.28Å; Y711-R713 PolarHBondContact O-N 3.36Å
714	V	95.1	Very high	96.6	Very high	55 Å²	55	56.2 Å²	56.2	33%	0.333	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	18.1	174.8	-60.2	0	0	0	0	112.1	L676 Y711 A712 L716	L676-V714 HydrophobicContact CD1-CG2 3.49Å; L676-V714 VanDerWaalsContact CD1-CG2 3.49Å; L676-V714 HydrophobicContact CG-CG2 4.45Å; Y711-V714 CarbonylContact O-C 3.47Å; Y711-V714 WeakPolarHBondContact O-CG2 3.5Å; Y711-V714 PolarHBondContact O-N 3.48Å; Y711-V714 VanDerWaalsContact O-N 3.1Å; A712-V714 PolarHBondContact O-N 3.16Å; V714-L716 VanDerWaalsContact C-N 3.26Å; V714-L716 HydrophobicContact CG2-CB 4.22Å; V714-L716 HydrophobicContact CG2-CD1 3.93Å; V714-L716 HydrophobicContact CG2-CG 4.04Å; V714-L716 PolarHBondContact O-N 2.91Å
715	Q	95.9	Very high	96.6	Very high	187 Å²	187	54.9 Å²	54.9	87%	0.874	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	34.3	177.7	-57.6	175.6	-6.3	0	0	114	Y711 A712	Y711-Q715 PolarHBondContact O-N 3.43Å; A712-Q715 PolarHBondContact O-N 2.97Å
716	L	96.2	Very high	96.5	Very high	91 Å²	91	50.1 Å²	50.1	48%	0.476	27%	0.265	S	S	.	.			trans	-110.8	152.9	175.5	-67.9	178.2	0	0	0	111.7	Y711 V714	Y711-L716 CarbonylContact C-O 3.58Å; Y711-L716 VanDerWaalsContact C-O 3.3Å; Y711-L716 HydrophobicContact CD1-CB 4.18Å; Y711-L716 PolarHBondContact O-N 3.21Å; V714-L716 VanDerWaalsContact C-N 3.26Å; V714-L716 HydrophobicContact CG2-CB 4.22Å; V714-L716 HydrophobicContact CG2-CD1 3.93Å; V714-L716 HydrophobicContact CG2-CG 4.04Å; V714-L716 PolarHBondContact O-N 2.91Å
717	S	95.6	Very high	96.3	Very high	97 Å²	97	50.6 Å²	50.6	68%	0.678	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-64.2	151.5	165.8	57.8	0	0	0	0	110.9	Y711	Y711-S717 VanDerWaalsContact CD1-O 3.28Å; Y711-S717 WeakPolarHBondContact CD1-O 3.18Å
718	P	96	Very high	95.8	Very high	68 Å²	68	53.4 Å²	53.4	44%	0.442	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-57.1	150.1	175.6	25.4	-35.3	0	0	0	111.7	K708	K708-P718 HydrophobicContact CG-CB 3.97Å; K708-P718 HydrophobicContact CG-CG 4.11Å
719	P	97.4	Very high	94.7	Very high	13 Å²	13	49.9 Å²	49.9	8%	0.084	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-73.3	162	-178.3	33.6	-36	0	0	0	110.9	I680 L707 Y711 L721	I680-P719 HydrophobicContact CD1-CB 4.35Å; I680-P719 HydrophobicContact CD1-CG 3.82Å; I680-P719 HydrophobicContact CG1-CB 4.35Å; I680-P719 HydrophobicContact CG1-CG 4.31Å; L707-P719 HydrophobicContact CD1-CG 4.16Å; L707-P719 HydrophobicContact CD2-CG 4.26Å; Y711-P719 HydrophobicContact CD2-CG 4.3Å; Y711-P719 HydrophobicContact CE1-CB 3.76Å; Y711-P719 HydrophobicContact CE1-CG 3.92Å; Y711-P719 HydrophobicContact CE2-CB 4.39Å; Y711-P719 HydrophobicContact CE2-CG 3.67Å; Y711-P719 VanDerWaalsContact CZ-CG 3.44Å; P719-L721 PolarHBondContact O-N 3.35Å
720	Q	97.6	Very high	93.5	Very high	67 Å²	67	52.2 Å²	52.2	31%	0.313	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	130.8	165.4	-62.3	-175.9	-48.1	0	0	109.2	S678 R679 I680 M783	S678-Q720 PolarHBondContact O-N 3.1Å; R679-Q720 CarbonylContact C-O 3.58Å; R679-Q720 WeakPolarHBondContact CA-O 2.99Å; R679-Q720 HydrophobicContact CG-CB 4.27Å; R679-Q720 VanDerWaalsContact NE-OE1 3.09Å; I680-Q720 PolarHBondContact N-O 3.46Å; Q720-M783 HydrophobicContact CB-SD 3.81Å; Q720-M783 PolarHBondContact NE2-O 2.87Å
721	L	97.5	Very high	93	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	131.6	-176	174.1	67.6	0	0	0	110.4	I680 I703 I704 L707 P719 Y780 S781 S782	I680-L721 HydrophobicContact CB-CD1 4.04Å; I680-L721 HydrophobicContact CG2-CD1 3.94Å; I680-L721 CarbonylContact O-C 3.47Å; I680-L721 WeakPolarHBondContact O-CA 3.4Å; I703-L721 HydrophobicContact CG2-CD2 4.1Å; I704-L721 HydrophobicContact CG1-CD2 3.91Å; L707-L721 HydrophobicContact CD1-CD1 4.48Å; L707-L721 HydrophobicContact CD1-CD2 4.13Å; P719-L721 PolarHBondContact O-N 3.35Å; L721-Y780 HydrophobicContact CB-CD1 4.35Å; L721-Y780 HydrophobicContact CB-CE1 4.08Å; L721-Y780 HydrophobicContact CD2-CD1 4.01Å; L721-Y780 HydrophobicContact CD2-CE1 4.14Å; L721-Y780 HydrophobicContact CG-CD1 4.11Å; L721-Y780 HydrophobicContact CG-CE1 4.3Å; L721-S781 CarbonylContact O-C 3.51Å; L721-S781 VanDerWaalsContact O-CA 3.3Å; L721-S781 WeakPolarHBondContact O-CA 3.2Å; L721-S782 PolarHBondContact N-OG 3.19Å; L721-S782 PolarHBondContact O-N 3.12Å; L721-S782 PolarHBondContact O-OG 3.36Å
722	A	97.6	Very high	92.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.2	159.6	0	0	0	0	0	110.2	I680 V681 F682 I724 Y780 M783 M790	I680-A722 PolarHBondContact O-N 3.05Å; V681-A722 HydrophobicContact CG2-CB 4.42Å; F682-A722 PolarHBondContact N-O 3.4Å; A722-I724 HydrophobicContact CB-CG1 4.43Å; A722-Y780 CarbonylContact C-O 3.47Å; A722-Y780 WeakPolarHBondContact CA-O 3.33Å; A722-M783 HydrophobicContact CB-CG 3.58Å; A722-M790 HydrophobicContact CB-CE 3.62Å
723	Y	96.8	Very high	92.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	115.4	175.2	-168.7	-73.1	0	0	0	109.6	F682 R684 L695 E699 V700 I703 V725 L779 Y780	F682-Y723 HydrophobicContact CB-CD2 4.08Å; F682-Y723 AromaticContact CD1-CD2 3.71Å; F682-Y723 HydrophobicContact CD1-CD2 3.71Å; F682-Y723 AromaticContact CD1-CE2 3.42Å; F682-Y723 HydrophobicContact CD1-CE2 3.42Å; F682-Y723 VanDerWaalsContact CD1-CE2 3.42Å; F682-Y723 HydrophobicContact CD1-CG 4.46Å; F682-Y723 AromaticContact CD1-CZ 3.95Å; F682-Y723 HydrophobicContact CE1-CD2 4.4Å; F682-Y723 AromaticContact CE1-CE2 3.67Å; F682-Y723 HydrophobicContact CE1-CE2 3.67Å; F682-Y723 AromaticContact CG-CD2 3.98Å; F682-Y723 HydrophobicContact CG-CD2 3.98Å; F682-Y723 HydrophobicContact CG-CE2 4.06Å; F682-Y723 HydrophobicContact CZ-CE2 4.45Å; R684-Y723 HydrophobicContact CB-CE1 3.94Å; R684-Y723 WeakPolarHBondContact CD-OH 3.27Å; R684-Y723 HydrophobicContact CG-CE1 4.37Å; R684-Y723 VanDerWaalsContact CG-OH 3.26Å; R684-Y723 WeakPolarHBondContact CG-OH 3.5Å; L695-Y723 HydrophobicContact CD2-CE1 3.99Å; E699-Y723 PolarHBondContact OE2-OH 3.42Å; V700-Y723 HydrophobicContact CG2-CD1 3.74Å; V700-Y723 HydrophobicContact CG2-CD2 3.99Å; V700-Y723 HydrophobicContact CG2-CE1 3.93Å; V700-Y723 HydrophobicContact CG2-CE2 4.13Å; V700-Y723 HydrophobicContact CG2-CG 3.79Å; I703-Y723 HydrophobicContact CD1-CD2 4.25Å; I703-Y723 HydrophobicContact CD1-CE2 3.86Å; Y723-V725 HydrophobicContact CE1-CG2 4.05Å; Y723-L779 HydrophobicContact CD1-CB 4.23Å; Y723-L779 HydrophobicContact CD1-CD1 4.02Å; Y723-L779 HydrophobicContact CD1-CG 4.27Å; Y723-L779 HydrophobicContact CE1-CD1 4.01Å; Y723-L779 PolarHBondContact O-N 3.41Å; Y723-Y780 PolarHBondContact N-O 2.96Å
724	I	96.9	Very high	92.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	118	-169.6	-48.2	177	0	0	0	109.7	V681 F682 Y683 R684 A722 Y776 N777 V778 M790	V681-I724 HydrophobicContact CG1-CD1 4.01Å; F682-I724 PolarHBondContact O-N 2.9Å; Y683-I724 WeakPolarHBondContact CA-O 3.45Å; Y683-I724 HydrophobicContact CD1-CB 3.89Å; Y683-I724 HydrophobicContact CD1-CD1 4.2Å; Y683-I724 HydrophobicContact CD1-CG2 4.12Å; Y683-I724 HydrophobicContact CE1-CB 4.13Å; Y683-I724 HydrophobicContact CE1-CD1 3.62Å; Y683-I724 HydrophobicContact CE1-CG1 4.43Å; Y683-I724 HydrophobicContact CE1-CG2 4.17Å; R684-I724 PolarHBondContact N-O 3.27Å; A722-I724 HydrophobicContact CB-CG1 4.43Å; I724-Y776 HydrophobicContact CG2-CD1 4.15Å; I724-N777 CarbonylContact C-O 3.53Å; I724-N777 WeakPolarHBondContact CA-O 3.47Å; I724-V778 HydrophobicContact CG1-CG2 4.22Å; I724-V778 HydrophobicContact CG2-CG2 4.44Å; I724-M790 HydrophobicContact CD1-CE 3.56Å; I724-M790 HydrophobicContact CG1-CE 4.47Å
725	V	95.1	Very high	92.4	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.012	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	125.2	171	174.4	0	0	0	0	109.4	R684 V687 L692 L695 Y723 Y776 N777 L779	R684-V725 HydrophobicContact CB-CG2 4.38Å; V687-V725 HydrophobicContact CB-CG1 4.16Å; L692-V725 HydrophobicContact CD2-CB 4.49Å; L692-V725 HydrophobicContact CD2-CG1 4.24Å; L692-V725 HydrophobicContact CD2-CG2 4.12Å; L695-V725 HydrophobicContact CD2-CG2 3.6Å; Y723-V725 HydrophobicContact CE1-CG2 4.05Å; V725-Y776 WeakPolarHBondContact O-CA 3.12Å; V725-N777 PolarHBondContact N-O 3.36Å; V725-N777 PolarHBondContact O-N 2.79Å; V725-L779 HydrophobicContact CG2-CD1 3.53Å; V725-L779 HydrophobicContact CG2-CD2 4.37Å; V725-L779 HydrophobicContact CG2-CG 3.85Å
726	V	95.3	Very high	92.4	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	118.7	177.7	-174.2	0	0	0	0	108.3	Y683 R684 T774 Y776 V810	Y683-V726 HydrophobicContact CD1-CG2 3.65Å; Y683-V726 HydrophobicContact CG-CG2 4.24Å; R684-V726 PolarHBondContact O-N 2.98Å; V726-T774 HydrophobicContact CG1-CG2 3.51Å; V726-Y776 HydrophobicContact CB-CE1 4.48Å; V726-Y776 HydrophobicContact CG1-CD1 4.4Å; V726-Y776 HydrophobicContact CG1-CE1 3.93Å; V726-Y776 HydrophobicContact CG2-CD1 3.91Å; V726-Y776 HydrophobicContact CG2-CE1 3.86Å; V726-V810 HydrophobicContact CG1-CB 4.24Å; V726-V810 HydrophobicContact CG1-CG1 3.79Å
727	T	91.1	Very high	92.1	Very high	53 Å²	53	36.2 Å²	36.2	33%	0.325	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.9	177.8	-62.8	0	0	0	0	110.4	S729 S775	T727-S729 VanDerWaalsContact C-N 3.33Å; T727-S729 PolarHBondContact O-N 2.79Å; T727-S775 PolarHBondContact N-O 2.96Å; T727-S775 PolarHBondContact O-N 3.37Å
728	R	86.1	Confident	91.6	Very high	64 Å²	64	32.5 Å²	32.5	24%	0.242	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	87.2	170.8	-66.9	-172.6	-171.1	100.4	9.7	109.3	D685 M730 V810	D685-R728 IonicContact OD1-NH1 3.61Å; D685-R728 IonicContact OD2-CZ 2.74Å; D685-R728 VanDerWaalsContact OD2-CZ 3.25Å; D685-R728 IonicContact OD2-NH1 3.9Å; D685-R728 PolarHBondContact OD2-NH1 3.18Å; D685-R728 IonicContact OD2-NH2 3.24Å; D685-R728 PolarHBondContact OD2-NH2 3.23Å; R728-M730 PolarHBondContact O-N 2.9Å; R728-M730 VanDerWaalsContact O-N 3.17Å; R728-V810 HydrophobicContact CG-CG1 4.32Å
729	S	75.5	Confident	91.5	Very high	17 Å²	17	35.9 Å²	35.9	12%	0.119	19%	0.185	C	C	.	.			trans	-66.7	115	177.9	-169.4	0	0	0	0	109.8	T727 T732 R809	T727-S729 VanDerWaalsContact C-N 3.33Å; T727-S729 PolarHBondContact O-N 2.79Å; S729-T732 WeakPolarHBondContact OG-CB 3.29Å; S729-T732 PolarHBondContact OG-N 3.29Å; S729-T732 PolarHBondContact OG-OG1 3.1Å; S729-R809 PolarHBondContact O-NH2 3.45Å
730	M	71.9	Confident	91.3	Very high	123 Å²	123	37.4 Å²	37.4	61%	0.606	19%	0.193	S	C	*	.	S	Bend	trans	-89.4	-20.1	171.9	-65.5	-172.7	66.3	0	0	111.7	R728 R733	R728-M730 PolarHBondContact O-N 2.9Å; R728-M730 VanDerWaalsContact O-N 3.17Å; M730-R733 PolarHBondContact O-NE 3.17Å; M730-R733 VanDerWaalsContact O-NE 3.09Å; M730-R733 PolarHBondContact O-NH2 3.35Å
731	N	85.1	Confident	91.2	Very high	55 Å²	55	34.4 Å²	34.4	29%	0.294	18%	0.179	S	C	.	.	S	Bend	trans	-93.2	-34.3	-170.2	-58.6	-3.4	0	0	0	112.3	N102 E238	N102-N731 PolarHBondContact ND2-O 3.08Å; E238-N731 PolarHBondContact OE1-ND2 3.39Å; E238-N731 PolarHBondContact OE1-OD1 2.84Å
732	T	91.8	Very high	91.2	Very high	9 Å²	9	36.2 Å²	36.2	6%	0.055	19%	0.191	C	C	.	.			trans	-84	124.1	176.3	-47.8	0	0	0	0	108.9	F103 S729 I751 Y760 P773	F103-T732 HydrophobicContact CE2-CG2 3.89Å; F103-T732 HydrophobicContact CZ-CG2 4.37Å; S729-T732 WeakPolarHBondContact OG-CB 3.29Å; S729-T732 PolarHBondContact OG-N 3.29Å; S729-T732 PolarHBondContact OG-OG1 3.1Å; T732-I751 HydrophobicContact CG2-CD1 3.89Å; T732-Y760 HydrophobicContact CG2-CD1 4.31Å; T732-Y760 HydrophobicContact CG2-CD2 4.47Å; T732-Y760 HydrophobicContact CG2-CE1 3.85Å; T732-Y760 HydrophobicContact CG2-CE2 4.04Å; T732-Y760 PolarHBondContact OG1-OH 3.33Å; T732-P773 VanDerWaalsContact O-CD 3.22Å; T732-P773 WeakPolarHBondContact O-CD 3.33Å; T732-P773 WeakPolarHBondContact O-CG 3.39Å
733	R	93.2	Very high	91.2	Very high	13 Å²	13	36.7 Å²	36.7	5%	0.049	19%	0.194	C	C	.	.			trans	-129.7	148.2	174.7	-57.1	-64.1	-179	152.9	0.8	109.9	T101 N102 E253 M730 F735 T770 V771 S772	T101-R733 CarbonylContact C-O 3.6Å; T101-R733 WeakPolarHBondContact CA-O 3.25Å; N102-R733 HydrophobicContact CB-CB 4.23Å; N102-R733 PolarHBondContact N-O 2.82Å; N102-R733 PolarHBondContact OD1-N 2.89Å; N102-R733 PolarHBondContact OD1-O 2.73Å; N102-R733 VanDerWaalsContact OD1-O 3.06Å; E253-R733 IonicContact OE1-CZ 2.69Å; E253-R733 IonicContact OE1-NE 3.2Å; E253-R733 PolarHBondContact OE1-NE 3.48Å; E253-R733 IonicContact OE1-NH2 3.49Å; E253-R733 PolarHBondContact OE1-NH2 3.07Å; M730-R733 PolarHBondContact O-NE 3.17Å; M730-R733 VanDerWaalsContact O-NE 3.09Å; M730-R733 PolarHBondContact O-NH2 3.35Å; R733-F735 HydrophobicContact CB-CE1 4.48Å; R733-F735 HydrophobicContact CB-CE2 4.21Å; R733-F735 HydrophobicContact CB-CZ 3.83Å; R733-T770 PolarHBondContact NH1-O 2.62Å; R733-T770 VanDerWaalsContact NH1-O 3.11Å; R733-V771 PolarHBondContact NH1-O 3.09Å; R733-S772 VanDerWaalsContact NH1-N 3.17Å; R733-S772 PolarHBondContact NH1-OG 3.2Å; R733-S772 PolarHBondContact NH2-OG 3Å; R733-S772 VanDerWaalsContact NH2-OG 3.08Å
734	F	94.3	Very high	91.2	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	153.3	168.3	47.3	-95.2	0	0	0	110.2	L99 Q100 T101 P741 T745 V747 I751 Y760 V762 P773	L99-F734 HydrophobicContact CB-CB 4.38Å; L99-F734 HydrophobicContact CD1-CD2 3.97Å; L99-F734 HydrophobicContact CD1-CE2 4.41Å; Q100-F734 CarbonylContact O-C 3.23Å; Q100-F734 WeakPolarHBondContact O-CA 3.47Å; T101-F734 HydrophobicContact CG2-CB 4.38Å; F734-P741 HydrophobicContact CD2-CB 4.49Å; F734-P741 HydrophobicContact CD2-CG 3.72Å; F734-P741 HydrophobicContact CE2-CG 4.11Å; F734-P741 VanDerWaalsContact O-CD 3.29Å; F734-P741 WeakPolarHBondContact O-CD 3.49Å; F734-P741 WeakPolarHBondContact O-CG 3.38Å; F734-T745 HydrophobicContact CE2-CG2 3.97Å; F734-V747 HydrophobicContact CD1-CG2 4.15Å; F734-V747 HydrophobicContact CD2-CG2 4.13Å; F734-V747 HydrophobicContact CE1-CB 4.41Å; F734-V747 HydrophobicContact CE1-CG2 4.01Å; F734-V747 HydrophobicContact CE2-CG2 3.99Å; F734-V747 HydrophobicContact CG-CG2 4.2Å; F734-V747 HydrophobicContact CZ-CG2 3.92Å; F734-I751 HydrophobicContact CD1-CD1 4.08Å; F734-Y760 HydrophobicContact CE1-CG 4.29Å; F734-V762 HydrophobicContact CE2-CG2 3.48Å; F734-V762 VanDerWaalsContact CE2-CG2 3.48Å; F734-V762 HydrophobicContact CZ-CG2 3.67Å; F734-P773 HydrophobicContact CD1-CG 4.17Å; F734-P773 HydrophobicContact CE1-CB 3.55Å; F734-P773 HydrophobicContact CE1-CG 3.56Å; F734-P773 HydrophobicContact CZ-CB 3.58Å; F734-P773 HydrophobicContact CZ-CG 4.08Å
735	F	94.1	Very high	91.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	141.6	-166.9	-47	-77.8	0	0	0	109.1	L99 Q100 P395 R398 R733 Q739 T770	L99-F735 CarbonylContact C-O 3.53Å; L99-F735 WeakPolarHBondContact CA-O 3.48Å; Q100-F735 PolarHBondContact N-O 2.77Å; Q100-F735 WeakPolarHBondContact O-CD2 3.41Å; Q100-F735 PolarHBondContact O-N 3.05Å; P395-F735 HydrophobicContact CB-CD1 3.69Å; P395-F735 HydrophobicContact CB-CE1 4.05Å; P395-F735 HydrophobicContact CG-CD1 4.2Å; P395-F735 HydrophobicContact CG-CE1 4.45Å; R398-F735 HydrophobicContact CG-CZ 4.3Å; R733-F735 HydrophobicContact CB-CE1 4.48Å; R733-F735 HydrophobicContact CB-CE2 4.21Å; R733-F735 HydrophobicContact CB-CZ 3.83Å; F735-Q739 WeakPolarHBondContact CA-O 3.25Å; F735-Q739 WeakPolarHBondContact CB-O 3.37Å; F735-T770 HydrophobicContact CD1-CG2 4.37Å; F735-T770 HydrophobicContact CE1-CG2 3.49Å; F735-T770 VanDerWaalsContact CE1-CG2 3.49Å; F735-T770 HydrophobicContact CZ-CG2 4.27Å
736	L	94.3	Very high	91.4	Very high	34 Å²	34	36.6 Å²	36.6	18%	0.178	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-103.9	115.3	172.8	-179.5	62	0	0	0	107.6	V97 M98 L99 I437 G738 Q739 P742	V97-L736 HydrophobicContact CB-CD1 4Å; V97-L736 HydrophobicContact CG1-CD1 4.38Å; M98-L736 WeakPolarHBondContact O-CD1 3.5Å; L99-L736 HydrophobicContact CD2-CB 3.84Å; L99-L736 HydrophobicContact CD2-CD1 4.04Å; L99-L736 HydrophobicContact CD2-CG 4.5Å; I437-L736 HydrophobicContact CD1-CD2 4.42Å; L736-G738 PolarHBondContact O-N 2.83Å; L736-Q739 PolarHBondContact N-O 2.88Å; L736-Q739 WeakPolarHBondContact O-CA 3.5Å; L736-Q739 WeakPolarHBondContact O-CB 3.33Å; L736-Q739 PolarHBondContact O-N 3.15Å; L736-P742 HydrophobicContact CD2-CG 4.46Å
737	N	89.8	Confident	91.5	Very high	138 Å²	138	36.6 Å²	36.6	74%	0.738	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	41.3	179	-55.5	-25.3	0	0	0	113.5	Q739	N737-Q739 PolarHBondContact O-N 3.07Å
738	G	86.6	Confident	91.7	Very high	18 Å²	18	34.3 Å²	34.3	19%	0.186	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	11.1	-177.1	0	0	0	0	0	115.2	P395 K396 L736	P395-G738 VanDerWaalsContact CB-O 3.23Å; P395-G738 WeakPolarHBondContact CB-O 3.5Å; K396-G738 PolarHBondContact N-O 3.05Å; L736-G738 PolarHBondContact O-N 2.83Å
739	Q	92.8	Very high	91.8	Very high	140 Å²	140	32.3 Å²	32.3	65%	0.654	17%	0.173	S	C	*	.	B	Isolated β-bridge	trans	-116.2	173.7	176.5	-57.7	-169.1	8.5	0	0	111.8	F735 L736 N737	F735-Q739 WeakPolarHBondContact CA-O 3.25Å; F735-Q739 WeakPolarHBondContact CB-O 3.37Å; L736-Q739 PolarHBondContact N-O 2.88Å; L736-Q739 WeakPolarHBondContact O-CA 3.5Å; L736-Q739 WeakPolarHBondContact O-CB 3.33Å; L736-Q739 PolarHBondContact O-N 3.15Å; N737-Q739 PolarHBondContact O-N 3.07Å
740	N	94.8	Very high	92.5	Very high	45 Å²	45	33 Å²	33	24%	0.241	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-67.7	132.3	173.3	-78.2	-46.6	0	0	0	109.1	P395 G769 T770 V771	P395-N740 HydrophobicContact CG-CB 4.27Å; P395-N740 VanDerWaalsContact CG-CG 3.43Å; P395-N740 WeakPolarHBondContact CG-OD1 3.46Å; N740-G769 PolarHBondContact ND2-O 3.3Å; N740-T770 WeakPolarHBondContact OD1-CA 3.22Å; N740-V771 HydrophobicContact CB-CG2 3.74Å; N740-V771 PolarHBondContact OD1-N 3.39Å
741	P	95.4	Very high	93.5	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.019	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-62.5	145.3	173	-17.8	29.8	0	0	0	111.1	L99 F734 T745 V762	L99-P741 HydrophobicContact CD2-CB 4.5Å; L99-P741 HydrophobicContact CD2-CG 4.4Å; F734-P741 HydrophobicContact CD2-CB 4.49Å; F734-P741 HydrophobicContact CD2-CG 3.72Å; F734-P741 HydrophobicContact CE2-CG 4.11Å; F734-P741 VanDerWaalsContact O-CD 3.29Å; F734-P741 WeakPolarHBondContact O-CD 3.49Å; F734-P741 WeakPolarHBondContact O-CG 3.38Å; P741-T745 HydrophobicContact CB-CG2 3.9Å; P741-T745 WeakPolarHBondContact CB-OG1 3.48Å; P741-V762 HydrophobicContact CB-CG2 4.45Å
742	P	96.1	Very high	93.8	Very high	43 Å²	43	24.5 Å²	24.5	28%	0.279	13%	0.134	S	C	.	.	P	Polyproline II helix	trans	-69.4	158.7	177.7	28.9	-34.8	0	0	0	111.9	I437 L736 G744 T745	I437-P742 HydrophobicContact CD1-CG 3.57Å; I437-P742 HydrophobicContact CG1-CG 4.22Å; I437-P742 HydrophobicContact CG2-CG 4.41Å; L736-P742 HydrophobicContact CD2-CG 4.46Å; P742-G744 PolarHBondContact O-N 2.89Å; P742-T745 WeakPolarHBondContact CD-OG1 3.32Å; P742-T745 WeakPolarHBondContact O-CB 3.34Å; P742-T745 PolarHBondContact O-N 3.01Å; P742-T745 PolarHBondContact O-OG1 3.08Å
743	P	97.4	Very high	93.7	Very high	10 Å²	10	24.7 Å²	24.7	7%	0.065	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	137	167.5	-29.1	38.4	0	0	0	112.3	A456 V762 S763 Q765	A456-P743 HydrophobicContact CB-CB 3.68Å; A456-P743 HydrophobicContact CB-CG 3.87Å; P743-V762 CarbonylContact C-O 3.59Å; P743-V762 WeakPolarHBondContact CA-O 3.09Å; P743-S763 WeakPolarHBondContact CB-O 3.5Å; P743-Q765 HydrophobicContact CG-CB 3.86Å; P743-Q765 HydrophobicContact CG-CG 4.2Å
744	G	97.3	Very high	93.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	93	-3.9	-177	0	0	0	0	0	114.3	I438 P742 I746 V762 Y795	I438-G744 PolarHBondContact N-O 2.97Å; P742-G744 PolarHBondContact O-N 2.89Å; G744-I746 PolarHBondContact O-N 2.74Å; G744-V762 PolarHBondContact N-O 3.02Å; G744-Y795 PolarHBondContact N-OH 3.36Å
745	T	97.9	Very high	93	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	128.2	175.5	-53.3	0	0	0	0	111.2	L99 R436 F734 P741 P742 L761 V762	L99-T745 HydrophobicContact CD1-CG2 3.7Å; L99-T745 HydrophobicContact CD2-CG2 4.16Å; R436-T745 CarbonylContact O-C 3.48Å; R436-T745 WeakPolarHBondContact O-CA 3.16Å; F734-T745 HydrophobicContact CE2-CG2 3.97Å; P741-T745 HydrophobicContact CB-CG2 3.9Å; P741-T745 WeakPolarHBondContact CB-OG1 3.48Å; P742-T745 WeakPolarHBondContact CD-OG1 3.32Å; P742-T745 WeakPolarHBondContact O-CB 3.34Å; P742-T745 PolarHBondContact O-N 3.01Å; P742-T745 PolarHBondContact O-OG1 3.08Å; T745-L761 WeakPolarHBondContact O-CA 3.49Å; T745-V762 PolarHBondContact O-N 2.78Å
746	I	98.1	Very high	92.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142	179.4	-68.5	-172.8	0	0	0	110.9	G435 R436 I438 G744 D748 Y760 L761 Q791	G435-I746 CarbonylContact C-O 3.55Å; G435-I746 WeakPolarHBondContact CA-O 3.23Å; R436-I746 PolarHBondContact N-O 3.24Å; R436-I746 PolarHBondContact O-N 3.34Å; I438-I746 HydrophobicContact CD1-CD1 3.37Å; I438-I746 HydrophobicContact CD1-CG1 4.36Å; I438-I746 HydrophobicContact CG1-CD1 3.85Å; I438-I746 HydrophobicContact CG1-CG1 4.45Å; G744-I746 PolarHBondContact O-N 2.74Å; I746-D748 HydrophobicContact CG2-CB 4.3Å; I746-Y760 VanDerWaalsContact CA-O 3.28Å; I746-Y760 WeakPolarHBondContact CA-O 3.33Å; I746-L761 HydrophobicContact CD1-CD1 4.2Å; I746-L761 HydrophobicContact CG1-CB 4.27Å; I746-L761 HydrophobicContact CG1-CD1 3.69Å; I746-Q791 HydrophobicContact CD1-CB 3.65Å; I746-Q791 HydrophobicContact CD1-CG 4.06Å
747	V	97.3	Very high	92.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	117.7	167.3	-178.6	0	0	0	0	108.8	L99 V433 F734 D749 I751 Y760	L99-V747 HydrophobicContact CD1-CG2 3.46Å; L99-V747 VanDerWaalsContact CD1-CG2 3.46Å; V433-V747 HydrophobicContact CG1-CG1 3.6Å; F734-V747 HydrophobicContact CD1-CG2 4.15Å; F734-V747 HydrophobicContact CD2-CG2 4.13Å; F734-V747 HydrophobicContact CE1-CB 4.41Å; F734-V747 HydrophobicContact CE1-CG2 4.01Å; F734-V747 HydrophobicContact CE2-CG2 3.99Å; F734-V747 HydrophobicContact CG-CG2 4.2Å; F734-V747 HydrophobicContact CZ-CG2 3.92Å; V747-D749 WeakPolarHBondContact CG1-O 3.21Å; V747-I751 HydrophobicContact CB-CD1 4.45Å; V747-I751 HydrophobicContact CG1-CD1 3.78Å; V747-I751 HydrophobicContact CG1-CG1 3.58Å; V747-Y760 PolarHBondContact N-O 2.91Å; V747-Y760 PolarHBondContact O-N 3.44Å
748	D	95.1	Very high	93	Very high	5 Å²	5	20.6 Å²	20.6	3%	0.027	11%	0.112	C	C	.	.			trans	-130	20.7	-175.9	54.6	-1	0	0	0	112.6	K90 G91 R436 I746 F759 Q791	K90-D748 WeakPolarHBondContact CA-OD2 3.3Å; G91-D748 PolarHBondContact N-OD2 3.49Å; R436-D748 IonicContact CZ-OD2 3.66Å; R436-D748 IonicContact NH2-OD1 2.83Å; R436-D748 IonicContact NH2-OD2 2.64Å; R436-D748 PolarHBondContact NH2-OD2 2.97Å; I746-D748 HydrophobicContact CG2-CB 4.3Å; D748-F759 HydrophobicContact CB-CB 3.83Å; D748-Q791 PolarHBondContact OD2-NE2 3.39Å
749	D	89.4	Confident	93.5	Very high	21 Å²	21	19.8 Å²	19.8	11%	0.112	10%	0.103	C	C	.	.	S	Bend	trans	-147.5	171.3	176.4	-167.4	27.1	0	0	0	110.9	K90 E245 V747 I751 T752	K90-D749 HydrophobicContact CD-CB 4.38Å; K90-D749 WeakPolarHBondContact CE-OD2 3.43Å; K90-D749 HydrophobicContact CG-CB 4.34Å; K90-D749 VanDerWaalsContact NZ-CG 3.32Å; K90-D749 IonicContact NZ-OD1 3.77Å; K90-D749 IonicContact NZ-OD2 3.56Å; K90-D749 PolarHBondContact NZ-OD2 2.84Å; E245-D749 WeakPolarHBondContact CG-OD1 3.07Å; V747-D749 WeakPolarHBondContact CG1-O 3.21Å; D749-I751 PolarHBondContact O-N 2.88Å; D749-T752 WeakPolarHBondContact CA-OG1 3.37Å
750	V	90.3	Very high	93.7	Very high	31 Å²	31	14 Å²	14	19%	0.188	8%	0.076	C	C	.	.	S	Bend	trans	61.8	-53.4	171.8	-173.6	0	0	0	0	115.6	H244 L249 T431 V433	H244-V750 WeakPolarHBondContact CB-O 3.34Å; L249-V750 HydrophobicContact CD1-CG1 4.39Å; T431-V750 HydrophobicContact CG2-CG1 4.01Å; V433-V750 HydrophobicContact CB-CB 4.4Å; V433-V750 HydrophobicContact CG1-CB 3.9Å; V433-V750 HydrophobicContact CG1-CG2 4.02Å; V433-V750 HydrophobicContact CG2-CB 3.69Å; V433-V750 HydrophobicContact CG2-CG1 3.71Å; V433-V750 HydrophobicContact CG2-CG2 4.32Å
751	I	92.4	Very high	93.9	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	-102.5	-0.9	179.3	57.9	169.2	0	0	0	112.9	T101 F103 H244 L249 V433 T732 F734 V747 D749 Y760	T101-I751 HydrophobicContact CG2-CD1 4.14Å; T101-I751 HydrophobicContact CG2-CG2 4Å; F103-I751 HydrophobicContact CB-CG2 4.44Å; F103-I751 HydrophobicContact CD2-CB 4.44Å; F103-I751 HydrophobicContact CD2-CG2 3.77Å; F103-I751 HydrophobicContact CE2-CB 4.34Å; F103-I751 HydrophobicContact CE2-CG2 4.15Å; F103-I751 HydrophobicContact CG-CG2 4.01Å; H244-I751 PolarHBondContact CE1-O 3.06Å; H244-I751 WeakPolarHBondContact ND1-CA 3.44Å; H244-I751 PolarHBondContact ND1-O 2.83Å; L249-I751 HydrophobicContact CD1-CG2 3.92Å; V433-I751 HydrophobicContact CG2-CG2 4Å; T732-I751 HydrophobicContact CG2-CD1 3.89Å; F734-I751 HydrophobicContact CD1-CD1 4.08Å; V747-I751 HydrophobicContact CB-CD1 4.45Å; V747-I751 HydrophobicContact CG1-CD1 3.78Å; V747-I751 HydrophobicContact CG1-CG1 3.58Å; D749-I751 PolarHBondContact O-N 2.88Å; I751-Y760 HydrophobicContact CD1-CD2 4.41Å; I751-Y760 HydrophobicContact CG1-CD2 4.46Å; I751-Y760 HydrophobicContact CG1-CE2 4.38Å
752	T	92.6	Very high	94	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	-74.9	173.9	165.7	51.4	0	0	0	0	111.3	K89 H244 E245 D749 D758 Y760	K89-T752 VanDerWaalsContact CE-OG1 3.27Å; K89-T752 WeakPolarHBondContact CE-OG1 3.22Å; K89-T752 PolarHBondContact NZ-OG1 2.86Å; H244-T752 PolarHBondContact ND1-O 2.78Å; E245-T752 WeakPolarHBondContact CG-OG1 3.19Å; E245-T752 PolarHBondContact OE1-OG1 2.78Å; D749-T752 WeakPolarHBondContact CA-OG1 3.37Å; T752-D758 WeakPolarHBondContact CB-OD1 3.29Å; T752-Y760 HydrophobicContact CG2-CD2 4.25Å; T752-Y760 HydrophobicContact CG2-CE2 4.27Å
753	L	89.1	Confident	94	Very high	14 Å²	14	9.9 Å²	9.9	7%	0.073	5%	0.052	C	C	.	.			trans	-102.3	133.7	-178.8	-66.8	174.7	0	0	0	111.9	K89 E245 E755 R756 D758	K89-L753 PolarHBondContact NZ-O 2.92Å; E245-L753 VanDerWaalsContact OE1-C 3.26Å; L753-E755 VanDerWaalsContact C-N 3.3Å; L753-E755 PolarHBondContact O-N 2.76Å; L753-R756 HydrophobicContact CB-CB 4.2Å; L753-R756 HydrophobicContact CB-CG 4Å; L753-R756 PolarHBondContact O-N 3.16Å; L753-D758 PolarHBondContact N-OD1 2.98Å; L753-D758 PolarHBondContact N-OD2 2.86Å
754	P	87.6	Confident	93.8	Very high	37 Å²	37	12.2 Å²	12.2	24%	0.24	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-41.4	-175	-23.9	30.6	0	0	0	113.8	R82 Q243 H244 R756	R82-P754 WeakPolarHBondContact CD-O 3.47Å; Q243-P754 HydrophobicContact CG-CG 4.43Å; H244-P754 VanDerWaalsContact C-CG 3.43Å; H244-P754 VanDerWaalsContact O-CG 3.27Å; H244-P754 WeakPolarHBondContact O-CG 3.26Å; P754-R756 PolarHBondContact O-N 2.98Å
755	E	85.6	Confident	93.6	Very high	22 Å²	22	15.1 Å²	15.1	10%	0.103	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-0.8	-177.8	74.2	-81.5	-171.6	0	0	113.5	Y78 N80 T81 R82 L753	Y78-E755 HydrophobicContact CD2-CG 4.44Å; Y78-E755 HydrophobicContact CE1-CB 4.3Å; Y78-E755 HydrophobicContact CE1-CG 4.42Å; Y78-E755 HydrophobicContact CE2-CB 4.24Å; Y78-E755 HydrophobicContact CE2-CG 3.77Å; Y78-E755 WeakPolarHBondContact OH-CB 3.48Å; N80-E755 CarbonylContact C-O 3.58Å; N80-E755 WeakPolarHBondContact CA-O 3.21Å; N80-E755 HydrophobicContact CB-CB 4.46Å; N80-E755 PolarHBondContact OD1-O 2.77Å; T81-E755 PolarHBondContact N-O 3.5Å; R82-E755 PolarHBondContact N-O 3.21Å; R82-E755 VanDerWaalsContact N-O 3.15Å; L753-E755 VanDerWaalsContact C-N 3.3Å; L753-E755 PolarHBondContact O-N 2.76Å
756	R	89.4	Confident	93.1	Very high	33 Å²	33	17.6 Å²	17.6	13%	0.125	9%	0.09	C	C	.	.	S	Bend	trans	-116.5	142.4	-175.9	-60.1	-173.5	-174.3	-178.7	-3.7	112.1	T81 K89 L753 P754 D758	T81-R756 VanDerWaalsContact OG1-CA 3.31Å; T81-R756 WeakPolarHBondContact OG1-CA 3.39Å; K89-R756 WeakPolarHBondContact CD-O 3.31Å; K89-R756 PolarHBondContact NZ-O 2.87Å; L753-R756 HydrophobicContact CB-CB 4.2Å; L753-R756 HydrophobicContact CB-CG 4Å; L753-R756 PolarHBondContact O-N 3.16Å; P754-R756 PolarHBondContact O-N 2.98Å; R756-D758 HydrophobicContact CB-CB 3.96Å; R756-D758 PolarHBondContact O-N 3.38Å
757	Y	93.6	Very high	92.5	Very high	9 Å²	9	27.9 Å²	27.9	4%	0.035	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	83.6	156.9	179.1	-158.9	0	0	0	109.1	T81 L86 K89 V778 P787	T81-Y757 PolarHBondContact OG1-N 3.43Å; L86-Y757 HydrophobicContact CD2-CD1 3.83Å; L86-Y757 HydrophobicContact CD2-CD2 3.63Å; L86-Y757 HydrophobicContact CD2-CE1 4.24Å; L86-Y757 HydrophobicContact CD2-CE2 4.05Å; L86-Y757 HydrophobicContact CD2-CG 3.54Å; K89-Y757 HydrophobicContact CB-CD2 3.75Å; K89-Y757 HydrophobicContact CB-CE2 4.05Å; Y757-V778 HydrophobicContact CD1-CB 3.44Å; Y757-V778 VanDerWaalsContact CD1-CB 3.44Å; Y757-V778 HydrophobicContact CD1-CG1 3.67Å; Y757-V778 HydrophobicContact CD1-CG2 3.85Å; Y757-V778 HydrophobicContact CE1-CB 3.8Å; Y757-V778 HydrophobicContact CE1-CG1 3.82Å; Y757-V778 HydrophobicContact CE1-CG2 3.74Å; Y757-V778 HydrophobicContact CE2-CG2 4.48Å; Y757-V778 HydrophobicContact CG-CB 3.93Å; Y757-V778 HydrophobicContact CG-CG2 4.23Å; Y757-V778 WeakPolarHBondContact O-CB 3.29Å; Y757-V778 PolarHBondContact O-N 3.1Å; Y757-P787 HydrophobicContact CE2-CB 4.08Å; Y757-P787 HydrophobicContact CE2-CG 4.22Å; Y757-P787 VanDerWaalsContact OH-CA 3.3Å; Y757-P787 WeakPolarHBondContact OH-CA 3.19Å
758	D	94.1	Very high	91.7	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	158.3	-176	64.2	-15.6	0	0	0	113.9	K89 T752 L753 R756 Y776 N777	K89-D758 IonicContact NZ-OD1 3.86Å; K89-D758 PolarHBondContact NZ-OD1 3.15Å; T752-D758 WeakPolarHBondContact CB-OD1 3.29Å; L753-D758 PolarHBondContact N-OD1 2.98Å; L753-D758 PolarHBondContact N-OD2 2.86Å; R756-D758 HydrophobicContact CB-CB 3.96Å; R756-D758 PolarHBondContact O-N 3.38Å; D758-Y776 CarbonylContact C-O 3.21Å; D758-Y776 WeakPolarHBondContact CA-O 3.47Å; D758-Y776 WeakPolarHBondContact CB-O 3.48Å; D758-N777 HydrophobicContact CB-CB 4.23Å
759	F	96.9	Very high	91.4	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	159.8	174	62.1	-86.9	0	0	0	110.9	D748 L761 Y776 Q791 T794	D748-F759 HydrophobicContact CB-CB 3.83Å; F759-L761 HydrophobicContact CD2-CB 4.42Å; F759-L761 HydrophobicContact CE2-CB 4.35Å; F759-Y776 HydrophobicContact CD2-CD2 4.04Å; F759-Y776 HydrophobicContact CD2-CG 4.43Å; F759-Y776 HydrophobicContact CE1-CG 4.46Å; F759-Y776 AromaticContact CE2-CD2 3.54Å; F759-Y776 HydrophobicContact CE2-CD2 3.54Å; F759-Y776 HydrophobicContact CE2-CE2 4.36Å; F759-Y776 AromaticContact CE2-CG 3.73Å; F759-Y776 HydrophobicContact CE2-CG 3.73Å; F759-Y776 VanDerWaalsContact CZ-CB 3.45Å; F759-Y776 HydrophobicContact CZ-CD1 4.48Å; F759-Y776 HydrophobicContact CZ-CD2 4.07Å; F759-Y776 AromaticContact CZ-CG 3.75Å; F759-Y776 HydrophobicContact CZ-CG 3.75Å; F759-Y776 PolarHBondContact N-O 3.3Å; F759-Y776 PolarHBondContact O-N 2.96Å; F759-Q791 HydrophobicContact CD1-CG 3.96Å; F759-Q791 HydrophobicContact CD2-CG 3.84Å; F759-Q791 HydrophobicContact CE1-CG 4Å; F759-Q791 HydrophobicContact CE2-CB 4.43Å; F759-Q791 HydrophobicContact CE2-CG 3.87Å; F759-Q791 HydrophobicContact CG-CG 3.88Å; F759-Q791 HydrophobicContact CZ-CG 3.96Å; F759-T794 HydrophobicContact CE2-CG2 4.49Å; F759-T794 HydrophobicContact CZ-CG2 4.36Å
760	Y	97.6	Very high	91.3	Very high	19 Å²	19	34.5 Å²	34.5	8%	0.075	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	141.3	169.9	-64.5	-82.8	0	0	0	110.3	T732 F734 I746 V747 I751 T752 P773 T774	T732-Y760 HydrophobicContact CG2-CD1 4.31Å; T732-Y760 HydrophobicContact CG2-CD2 4.47Å; T732-Y760 HydrophobicContact CG2-CE1 3.85Å; T732-Y760 HydrophobicContact CG2-CE2 4.04Å; T732-Y760 PolarHBondContact OG1-OH 3.33Å; F734-Y760 HydrophobicContact CE1-CG 4.29Å; I746-Y760 VanDerWaalsContact CA-O 3.28Å; I746-Y760 WeakPolarHBondContact CA-O 3.33Å; V747-Y760 PolarHBondContact N-O 2.91Å; V747-Y760 PolarHBondContact O-N 3.44Å; I751-Y760 HydrophobicContact CD1-CD2 4.41Å; I751-Y760 HydrophobicContact CG1-CD2 4.46Å; I751-Y760 HydrophobicContact CG1-CE2 4.38Å; T752-Y760 HydrophobicContact CG2-CD2 4.25Å; T752-Y760 HydrophobicContact CG2-CE2 4.27Å; Y760-P773 HydrophobicContact CD1-CB 4.44Å; Y760-P773 HydrophobicContact CD1-CG 4.47Å; Y760-T774 CarbonylContact C-O 3.55Å; Y760-T774 WeakPolarHBondContact CA-O 3.35Å
761	L	97.9	Very high	91.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	128.5	174.1	163.6	69.7	0	0	0	109.9	T745 I746 F759 T774 Y776 T794 Y795	T745-L761 WeakPolarHBondContact O-CA 3.49Å; I746-L761 HydrophobicContact CD1-CD1 4.2Å; I746-L761 HydrophobicContact CG1-CB 4.27Å; I746-L761 HydrophobicContact CG1-CD1 3.69Å; F759-L761 HydrophobicContact CD2-CB 4.42Å; F759-L761 HydrophobicContact CE2-CB 4.35Å; L761-T774 PolarHBondContact N-O 3.05Å; L761-T774 PolarHBondContact O-N 3.42Å; L761-Y776 HydrophobicContact CB-CD2 4.21Å; L761-Y776 HydrophobicContact CB-CE2 3.79Å; L761-Y776 HydrophobicContact CD2-CE2 4.1Å; L761-Y776 HydrophobicContact CG-CE2 4.41Å; L761-T794 HydrophobicContact CD2-CG2 4.2Å; L761-Y795 HydrophobicContact CD1-CD2 3.95Å; L761-Y795 HydrophobicContact CD1-CG 4.39Å; L761-Y795 HydrophobicContact CD2-CD2 4.16Å
762	V	97.7	Very high	91.3	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.018	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	97.4	164.2	172	0	0	0	0	107.2	F734 P741 P743 G744 T745 V771 P773	F734-V762 HydrophobicContact CE2-CG2 3.48Å; F734-V762 VanDerWaalsContact CE2-CG2 3.48Å; F734-V762 HydrophobicContact CZ-CG2 3.67Å; P741-V762 HydrophobicContact CB-CG2 4.45Å; P743-V762 CarbonylContact C-O 3.59Å; P743-V762 WeakPolarHBondContact CA-O 3.09Å; G744-V762 PolarHBondContact N-O 3.02Å; T745-V762 PolarHBondContact O-N 2.78Å; V762-V771 HydrophobicContact CB-CG1 4.27Å; V762-V771 HydrophobicContact CG1-CG1 3.59Å; V762-V771 HydrophobicContact CG2-CG1 3.76Å; V762-P773 HydrophobicContact CG2-CB 4Å
763	S	96.6	Very high	91.4	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.014	17%	0.165	C	C	.	.			trans	-90.6	-35.3	177.6	57.3	0	0	0	0	112.5	P743 T807 T808 R809	P743-S763 WeakPolarHBondContact CB-O 3.5Å; S763-T807 WeakPolarHBondContact O-CB 3.38Å; S763-T807 PolarHBondContact O-OG1 3.13Å; S763-T808 WeakPolarHBondContact CB-O 3.46Å; S763-T808 PolarHBondContact OG-O 3.02Å; S763-R809 VanDerWaalsContact OG-CA 3.29Å; S763-R809 WeakPolarHBondContact OG-CA 3.5Å; S763-R809 PolarHBondContact OG-O 2.92Å
764	Q	93.8	Very high	91.8	Very high	58 Å²	58	33.9 Å²	33.9	27%	0.271	16%	0.162	S	C	.	.	S	Bend	trans	-113.3	129.5	-173.2	177	173.2	60.9	0	0	111.7	T807 R809	Q764-T807 PolarHBondContact NE2-O 2.97Å; Q764-R809 HydrophobicContact CB-CB 4.33Å
765	Q	91.7	Very high	92.1	Very high	62 Å²	62	32.8 Å²	32.8	29%	0.29	15%	0.154	S	C	.	.			trans	-73.9	153.3	170.2	54.2	158.7	-6.5	0	0	112.2	N455 P743	N455-Q765 WeakPolarHBondContact O-CG 3.07Å; N455-Q765 PolarHBondContact O-NE2 3.46Å; N455-Q765 PolarHBondContact OD1-OE1 2.67Å; P743-Q765 HydrophobicContact CG-CB 3.86Å; P743-Q765 HydrophobicContact CG-CG 4.2Å
766	V	88.8	Confident	92.6	Very high	51 Å²	51	31.7 Å²	31.7	31%	0.309	15%	0.15	S	C	.	.			trans	-121.3	134.6	173.1	-57.4	0	0	0	0	110.2	Q768 V771	V766-Q768 VanDerWaalsContact C-N 3.33Å; V766-V771 HydrophobicContact CB-CG2 4.42Å; V766-V771 HydrophobicContact CG1-CG2 4.23Å; V766-V771 HydrophobicContact CG2-CG2 3.63Å
767	R	84.4	Confident	92.9	Very high	217 Å²	217	30.4 Å²	30.4	82%	0.819	15%	0.145	S	C	*	.	S	Bend	trans	-73.6	-26.5	177.8	-64.4	-174.9	-178.3	-173.2	0	113.2
768	Q	82	Confident	92.9	Very high	136 Å²	136	30.1 Å²	30.1	64%	0.636	14%	0.144	S	C	*	.	S	Bend	trans	-142.7	148.4	-178	-67.7	-178.6	-0.1	0	0	109.9	V766	V766-Q768 VanDerWaalsContact C-N 3.33Å
769	G	87.6	Confident	92.9	Very high	13 Å²	13	30.4 Å²	30.4	13%	0.134	15%	0.146	C	C	.	.	S	Bend	trans	79	-159.6	-179.1	0	0	0	0	0	113	M393 P395 N740	M393-G769 CarbonylContact O-C 3.5Å; M393-G769 VanDerWaalsContact O-CA 3.22Å; M393-G769 WeakPolarHBondContact O-CA 3.4Å; P395-G769 WeakPolarHBondContact CD-O 3.29Å; N740-G769 PolarHBondContact ND2-O 3.3Å
770	T	88.4	Confident	92.7	Very high	16 Å²	16	34 Å²	34	10%	0.098	16%	0.16	C	C	.	.			trans	-107.1	134	-177.6	-53.8	0	0	0	0	110.9	M393 R398 R733 F735 N740 S772	M393-T770 PolarHBondContact O-N 3.44Å; M393-T770 PolarHBondContact O-OG1 2.85Å; R398-T770 PolarHBondContact NE-OG1 3.47Å; R733-T770 PolarHBondContact NH1-O 2.62Å; R733-T770 VanDerWaalsContact NH1-O 3.11Å; F735-T770 HydrophobicContact CD1-CG2 4.37Å; F735-T770 HydrophobicContact CE1-CG2 3.49Å; F735-T770 VanDerWaalsContact CE1-CG2 3.49Å; F735-T770 HydrophobicContact CZ-CG2 4.27Å; N740-T770 WeakPolarHBondContact OD1-CA 3.22Å; T770-S772 PolarHBondContact O-N 2.91Å
771	V	91.1	Very high	92.5	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.03	17%	0.17	C	C	.	.			trans	-59.1	132.7	173.5	170.1	0	0	0	0	110.4	R733 N740 V762 V766	R733-V771 PolarHBondContact NH1-O 3.09Å; N740-V771 HydrophobicContact CB-CG2 3.74Å; N740-V771 PolarHBondContact OD1-N 3.39Å; V762-V771 HydrophobicContact CB-CG1 4.27Å; V762-V771 HydrophobicContact CG1-CG1 3.59Å; V762-V771 HydrophobicContact CG2-CG1 3.76Å; V766-V771 HydrophobicContact CB-CG2 4.42Å; V766-V771 HydrophobicContact CG1-CG2 4.23Å; V766-V771 HydrophobicContact CG2-CG2 3.63Å
772	S	90.7	Very high	92.4	Very high	23 Å²	23	37.2 Å²	37.2	16%	0.161	19%	0.185	C	C	.	.			trans	-100.4	110.7	168.1	-59.3	0	0	0	0	108.7	R733 T770 R809	R733-S772 VanDerWaalsContact NH1-N 3.17Å; R733-S772 PolarHBondContact NH1-OG 3.2Å; R733-S772 PolarHBondContact NH2-OG 3Å; R733-S772 VanDerWaalsContact NH2-OG 3.08Å; T770-S772 PolarHBondContact O-N 2.91Å; S772-R809 PolarHBondContact O-NE 2.98Å; S772-R809 VanDerWaalsContact O-NE 3.14Å; S772-R809 PolarHBondContact O-NH2 3.43Å
773	P	95.1	Very high	92	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.019	19%	0.185	C	C	.	.			trans	-62.4	162.7	176.9	28.6	-34.9	0	0	0	111.2	T732 F734 Y760 V762 R809	T732-P773 VanDerWaalsContact O-CD 3.22Å; T732-P773 WeakPolarHBondContact O-CD 3.33Å; T732-P773 WeakPolarHBondContact O-CG 3.39Å; F734-P773 HydrophobicContact CD1-CG 4.17Å; F734-P773 HydrophobicContact CE1-CB 3.55Å; F734-P773 HydrophobicContact CE1-CG 3.56Å; F734-P773 HydrophobicContact CZ-CB 3.58Å; F734-P773 HydrophobicContact CZ-CG 4.08Å; Y760-P773 HydrophobicContact CD1-CB 4.44Å; Y760-P773 HydrophobicContact CD1-CG 4.47Å; V762-P773 HydrophobicContact CG2-CB 4Å; P773-R809 PolarHBondContact O-NH2 3.46Å
774	T	96.6	Very high	91.6	Very high	1 Å²	1	41 Å²	41	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.5	173	-58.4	0	0	0	0	108.6	V726 Y760 L761 Y776 R809 V810	V726-T774 HydrophobicContact CG1-CG2 3.51Å; Y760-T774 CarbonylContact C-O 3.55Å; Y760-T774 WeakPolarHBondContact CA-O 3.35Å; L761-T774 PolarHBondContact N-O 3.05Å; L761-T774 PolarHBondContact O-N 3.42Å; T774-Y776 HydrophobicContact CG2-CD2 4.27Å; T774-Y776 HydrophobicContact CG2-CE1 4.22Å; T774-Y776 HydrophobicContact CG2-CE2 3.54Å; T774-Y776 WeakPolarHBondContact O-CD2 3.41Å; T774-Y776 WeakPolarHBondContact O-CE2 3.49Å; T774-R809 WeakPolarHBondContact CB-O 3.48Å; T774-R809 VanDerWaalsContact OG1-CG 3.25Å; T774-R809 WeakPolarHBondContact OG1-CG 3.5Å; T774-R809 PolarHBondContact OG1-O 3.3Å; T774-V810 HydrophobicContact CG2-CG1 4.2Å
775	S	95.3	Very high	91.5	Very high	13 Å²	13	39.9 Å²	39.9	9%	0.091	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	133.9	175.2	180	0	0	0	0	109.2	T727	T727-S775 PolarHBondContact N-O 2.96Å; T727-S775 PolarHBondContact O-N 3.37Å
776	Y	96.3	Very high	91.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.2	176.1	-63.6	-91	0	0	0	107.5	Y683 I724 V725 V726 D758 F759 L761 T774 T794 P811	Y683-Y776 HydrophobicContact CD1-CD1 4.5Å; Y683-Y776 HydrophobicContact CE1-CD1 4.24Å; Y683-Y776 HydrophobicContact CE1-CE1 4.32Å; I724-Y776 HydrophobicContact CG2-CD1 4.15Å; V725-Y776 WeakPolarHBondContact O-CA 3.12Å; V726-Y776 HydrophobicContact CB-CE1 4.48Å; V726-Y776 HydrophobicContact CG1-CD1 4.4Å; V726-Y776 HydrophobicContact CG1-CE1 3.93Å; V726-Y776 HydrophobicContact CG2-CD1 3.91Å; V726-Y776 HydrophobicContact CG2-CE1 3.86Å; D758-Y776 CarbonylContact C-O 3.21Å; D758-Y776 WeakPolarHBondContact CA-O 3.47Å; D758-Y776 WeakPolarHBondContact CB-O 3.48Å; F759-Y776 HydrophobicContact CD2-CD2 4.04Å; F759-Y776 HydrophobicContact CD2-CG 4.43Å; F759-Y776 HydrophobicContact CE1-CG 4.46Å; F759-Y776 AromaticContact CE2-CD2 3.54Å; F759-Y776 HydrophobicContact CE2-CD2 3.54Å; F759-Y776 HydrophobicContact CE2-CE2 4.36Å; F759-Y776 AromaticContact CE2-CG 3.73Å; F759-Y776 HydrophobicContact CE2-CG 3.73Å; F759-Y776 VanDerWaalsContact CZ-CB 3.45Å; F759-Y776 HydrophobicContact CZ-CD1 4.48Å; F759-Y776 HydrophobicContact CZ-CD2 4.07Å; F759-Y776 AromaticContact CZ-CG 3.75Å; F759-Y776 HydrophobicContact CZ-CG 3.75Å; F759-Y776 PolarHBondContact N-O 3.3Å; F759-Y776 PolarHBondContact O-N 2.96Å; L761-Y776 HydrophobicContact CB-CD2 4.21Å; L761-Y776 HydrophobicContact CB-CE2 3.79Å; L761-Y776 HydrophobicContact CD2-CE2 4.1Å; L761-Y776 HydrophobicContact CG-CE2 4.41Å; T774-Y776 HydrophobicContact CG2-CD2 4.27Å; T774-Y776 HydrophobicContact CG2-CE1 4.22Å; T774-Y776 HydrophobicContact CG2-CE2 3.54Å; T774-Y776 WeakPolarHBondContact O-CD2 3.41Å; T774-Y776 WeakPolarHBondContact O-CE2 3.49Å; Y776-T794 HydrophobicContact CD1-CG2 3.63Å; Y776-T794 HydrophobicContact CD2-CG2 4.4Å; Y776-T794 HydrophobicContact CE1-CG2 3.26Å; Y776-T794 HydrophobicContact CE2-CG2 4.11Å; Y776-T794 HydrophobicContact CG-CG2 4.19Å; Y776-P811 HydrophobicContact CE1-CG 3.93Å
777	N	94.3	Very high	91.8	Very high	6 Å²	6	37 Å²	37	3%	0.032	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	111.9	177.1	-179.2	15	0	0	0	109.1	T81 I724 V725 D758 L779	T81-N777 PolarHBondContact OG1-OD1 3.1Å; T81-N777 VanDerWaalsContact OG1-OD1 3.11Å; I724-N777 CarbonylContact C-O 3.53Å; I724-N777 WeakPolarHBondContact CA-O 3.47Å; V725-N777 PolarHBondContact N-O 3.36Å; V725-N777 PolarHBondContact O-N 2.79Å; D758-N777 HydrophobicContact CB-CB 4.23Å; N777-L779 VanDerWaalsContact ND2-CD2 3.31Å; N777-L779 WeakPolarHBondContact ND2-CD2 3.41Å; N777-L779 PolarHBondContact O-N 3.24Å
778	V	95.1	Very high	92.3	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	106	177.2	-173.6	0	0	0	0	107.6	I724 Y757	I724-V778 HydrophobicContact CG1-CG2 4.22Å; I724-V778 HydrophobicContact CG2-CG2 4.44Å; Y757-V778 HydrophobicContact CD1-CB 3.44Å; Y757-V778 VanDerWaalsContact CD1-CB 3.44Å; Y757-V778 HydrophobicContact CD1-CG1 3.67Å; Y757-V778 HydrophobicContact CD1-CG2 3.85Å; Y757-V778 HydrophobicContact CE1-CB 3.8Å; Y757-V778 HydrophobicContact CE1-CG1 3.82Å; Y757-V778 HydrophobicContact CE1-CG2 3.74Å; Y757-V778 HydrophobicContact CE2-CG2 4.48Å; Y757-V778 HydrophobicContact CG-CB 3.93Å; Y757-V778 HydrophobicContact CG-CG2 4.23Å; Y757-V778 WeakPolarHBondContact O-CB 3.29Å; Y757-V778 PolarHBondContact O-N 3.1Å
779	L	92.8	Very high	92.9	Very high	7 Å²	7	27 Å²	27	4%	0.037	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-32.7	-179.5	-58.8	-169.4	0	0	0	112.2	L79 T81 L692 L695 F696 V700 Y723 V725 N777	L79-L779 HydrophobicContact CD2-CD2 4.5Å; T81-L779 HydrophobicContact CG2-CD2 3.54Å; L692-L779 HydrophobicContact CD2-CD2 4.42Å; L695-L779 HydrophobicContact CD2-CD1 3.8Å; F696-L779 HydrophobicContact CD2-CB 4.13Å; F696-L779 WeakPolarHBondContact CE2-O 3.36Å; V700-L779 HydrophobicContact CG2-CD1 4.34Å; Y723-L779 HydrophobicContact CD1-CB 4.23Å; Y723-L779 HydrophobicContact CD1-CD1 4.02Å; Y723-L779 HydrophobicContact CD1-CG 4.27Å; Y723-L779 HydrophobicContact CE1-CD1 4.01Å; Y723-L779 PolarHBondContact O-N 3.41Å; V725-L779 HydrophobicContact CG2-CD1 3.53Å; V725-L779 HydrophobicContact CG2-CD2 4.37Å; V725-L779 HydrophobicContact CG2-CG 3.85Å; N777-L779 VanDerWaalsContact ND2-CD2 3.31Å; N777-L779 WeakPolarHBondContact ND2-CD2 3.41Å; N777-L779 PolarHBondContact O-N 3.24Å
780	Y	93.8	Very high	93.4	Very high	78 Å²	78	26.4 Å²	26.4	31%	0.306	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	140.8	179.6	178.5	-93	0	0	0	109.2	V700 I704 L721 A722 Y723	V700-Y780 HydrophobicContact CG1-CG 4.24Å; I704-Y780 HydrophobicContact CD1-CD1 4.09Å; I704-Y780 HydrophobicContact CD1-CD2 3.8Å; I704-Y780 HydrophobicContact CD1-CE1 3.96Å; I704-Y780 HydrophobicContact CD1-CE2 3.66Å; I704-Y780 HydrophobicContact CD1-CG 4.01Å; I704-Y780 HydrophobicContact CG1-CE1 4.31Å; L721-Y780 HydrophobicContact CB-CD1 4.35Å; L721-Y780 HydrophobicContact CB-CE1 4.08Å; L721-Y780 HydrophobicContact CD2-CD1 4.01Å; L721-Y780 HydrophobicContact CD2-CE1 4.14Å; L721-Y780 HydrophobicContact CG-CD1 4.11Å; L721-Y780 HydrophobicContact CG-CE1 4.3Å; A722-Y780 CarbonylContact C-O 3.47Å; A722-Y780 WeakPolarHBondContact CA-O 3.33Å; Y723-Y780 PolarHBondContact N-O 2.96Å
781	S	93.5	Very high	93.8	Very high	41 Å²	41	25.7 Å²	25.7	29%	0.287	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	123.3	174.2	-175.4	0	0	0	0	111.3	L721	L721-S781 CarbonylContact O-C 3.51Å; L721-S781 VanDerWaalsContact O-CA 3.3Å; L721-S781 WeakPolarHBondContact O-CA 3.2Å
782	S	94.3	Very high	94.1	Very high	45 Å²	45	28.6 Å²	28.6	32%	0.315	17%	0.17	S	C	.	.			trans	-117	19.6	165.7	59.8	0	0	0	0	112	L721 G784	L721-S782 PolarHBondContact N-OG 3.19Å; L721-S782 PolarHBondContact O-N 3.12Å; L721-S782 PolarHBondContact O-OG 3.36Å; S782-G784 PolarHBondContact O-N 3.38Å
783	M	90.3	Very high	94.4	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.025	16%	0.164	C	C	.	.	S	Bend	trans	-73.1	-22	-174.1	-72.5	-71.3	-70.7	0	0	114.7	R679 V681 Q720 A722 L785	R679-M783 HydrophobicContact CB-CE 4.03Å; R679-M783 HydrophobicContact CB-SD 4.06Å; R679-M783 HydrophobicContact CG-CE 4.39Å; R679-M783 HydrophobicContact CG-SD 4.48Å; V681-M783 HydrophobicContact CG2-CE 3.87Å; V681-M783 HydrophobicContact CG2-SD 4.4Å; Q720-M783 HydrophobicContact CB-SD 3.81Å; Q720-M783 PolarHBondContact NE2-O 2.87Å; A722-M783 HydrophobicContact CB-CG 3.58Å; M783-L785 HydrophobicContact CB-CB 4.31Å; M783-L785 HydrophobicContact CB-CD1 4.38Å; M783-L785 HydrophobicContact CB-CG 4.13Å; M783-L785 HydrophobicContact CE-CD1 3.67Å; M783-L785 HydrophobicContact CE-CG 4.41Å; M783-L785 PolarHBondContact O-N 3.41Å; M783-L785 VanDerWaalsContact O-N 3.16Å
784	G	87.9	Confident	94.6	Very high	79 Å²	79	27.7 Å²	27.7	81%	0.814	16%	0.163	S	C	*	.			trans	61.4	17.7	-171.7	0	0	0	0	0	114	S782	S782-G784 PolarHBondContact O-N 3.38Å
785	L	91.1	Very high	94.7	Very high	35 Å²	35	28 Å²	28	18%	0.183	17%	0.165	C	C	.	.			trans	-90.8	136.8	176.3	-68.7	-179.7	0	0	0	110.2	L605 M783 K789 M790	L605-L785 HydrophobicContact CD1-CD1 4.19Å; L605-L785 HydrophobicContact CD2-CD2 4.45Å; M783-L785 HydrophobicContact CB-CB 4.31Å; M783-L785 HydrophobicContact CB-CD1 4.38Å; M783-L785 HydrophobicContact CB-CG 4.13Å; M783-L785 HydrophobicContact CE-CD1 3.67Å; M783-L785 HydrophobicContact CE-CG 4.41Å; M783-L785 PolarHBondContact O-N 3.41Å; M783-L785 VanDerWaalsContact O-N 3.16Å; L785-K789 HydrophobicContact CB-CB 4.2Å; L785-K789 HydrophobicContact CD2-CB 4.29Å; L785-K789 HydrophobicContact CD2-CD 4Å; L785-M790 HydrophobicContact CB-CG 3.91Å; L785-M790 HydrophobicContact CB-SD 3.95Å; L785-M790 HydrophobicContact CD1-SD 3.74Å; L785-M790 HydrophobicContact CG-SD 4.44Å
786	S	93.7	Very high	94.8	Very high	37 Å²	37	28.3 Å²	28.3	26%	0.259	16%	0.164	S	C	.	.			trans	-62.9	155.9	171.4	57.6	0	0	0	0	111.2	E788 K789 M790	S786-E788 VanDerWaalsContact C-N 3.28Å; S786-E788 PolarHBondContact O-N 3.4Å; S786-E788 WeakPolarHBondContact OG-CG 3.41Å; S786-E788 PolarHBondContact OG-OE1 2.91Å; S786-K789 WeakPolarHBondContact O-CB 3.28Å; S786-K789 PolarHBondContact O-N 3.45Å; S786-K789 WeakPolarHBondContact OG-CD 3.46Å; S786-K789 WeakPolarHBondContact OG-CG 3.42Å; S786-M790 PolarHBondContact O-N 2.82Å; S786-M790 VanDerWaalsContact O-N 3.12Å
787	P	94.4	Very high	94.9	Very high	15 Å²	15	28.3 Å²	28.3	10%	0.097	16%	0.164	C	C	.	.	H	α-helix	trans	-53.7	-40.6	179.9	-29	35.7	0	0	0	114.7	L86 K89 Y757 K789 M790 Q791	L86-P787 HydrophobicContact CD1-CG 4.06Å; K89-P787 VanDerWaalsContact O-CB 3.31Å; K89-P787 WeakPolarHBondContact O-CB 3.3Å; Y757-P787 HydrophobicContact CE2-CB 4.08Å; Y757-P787 HydrophobicContact CE2-CG 4.22Å; Y757-P787 VanDerWaalsContact OH-CA 3.3Å; Y757-P787 WeakPolarHBondContact OH-CA 3.19Å; P787-K789 VanDerWaalsContact C-N 3.34Å; P787-K789 PolarHBondContact O-N 3.37Å; P787-M790 PolarHBondContact O-N 3.43Å; P787-Q791 WeakPolarHBondContact O-CB 3.48Å; P787-Q791 WeakPolarHBondContact O-CG 3.16Å; P787-Q791 PolarHBondContact O-N 2.62Å
788	E	94.4	Very high	95.1	Very high	35 Å²	35	28 Å²	28	16%	0.164	16%	0.163	C	C	.	.	H	α-helix	trans	-62.3	-37	176.2	71.2	-145.3	167.7	0	0	113.2	T92 D93 S786 Q791 K792	T92-E788 WeakPolarHBondContact CB-OE2 3.47Å; T92-E788 PolarHBondContact N-OE2 2.93Å; T92-E788 PolarHBondContact OG1-OE2 3.41Å; D93-E788 HydrophobicContact CB-CB 4.37Å; S786-E788 VanDerWaalsContact C-N 3.28Å; S786-E788 PolarHBondContact O-N 3.4Å; S786-E788 WeakPolarHBondContact OG-CG 3.41Å; S786-E788 PolarHBondContact OG-OE1 2.91Å; E788-Q791 PolarHBondContact O-N 2.66Å; E788-K792 VanDerWaalsContact O-CB 3.23Å; E788-K792 WeakPolarHBondContact O-CB 3.37Å; E788-K792 PolarHBondContact O-N 3.48Å
789	K	95.5	Very high	95.2	Very high	109 Å²	109	28 Å²	28	47%	0.474	16%	0.162	S	C	.	.	H	α-helix	trans	-69.5	-41.3	178.4	-71.4	176.9	-175.6	176.3	0	110.1	L785 S786 P787 K792 L793	L785-K789 HydrophobicContact CB-CB 4.2Å; L785-K789 HydrophobicContact CD2-CB 4.29Å; L785-K789 HydrophobicContact CD2-CD 4Å; S786-K789 WeakPolarHBondContact O-CB 3.28Å; S786-K789 PolarHBondContact O-N 3.45Å; S786-K789 WeakPolarHBondContact OG-CD 3.46Å; S786-K789 WeakPolarHBondContact OG-CG 3.42Å; P787-K789 VanDerWaalsContact C-N 3.34Å; P787-K789 PolarHBondContact O-N 3.37Å; K789-K792 PolarHBondContact O-N 3.48Å; K789-L793 VanDerWaalsContact O-CB 3.24Å; K789-L793 WeakPolarHBondContact O-CB 3.44Å; K789-L793 PolarHBondContact O-N 3.49Å
790	M	96.1	Very high	95.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.6	-43.9	174	-72.4	-61.4	-66.7	0	0	112.3	A722 I724 L785 S786 P787 T794	A722-M790 HydrophobicContact CB-CE 3.62Å; I724-M790 HydrophobicContact CD1-CE 3.56Å; I724-M790 HydrophobicContact CG1-CE 4.47Å; L785-M790 HydrophobicContact CB-CG 3.91Å; L785-M790 HydrophobicContact CB-SD 3.95Å; L785-M790 HydrophobicContact CD1-SD 3.74Å; L785-M790 HydrophobicContact CG-SD 4.44Å; S786-M790 PolarHBondContact O-N 2.82Å; S786-M790 VanDerWaalsContact O-N 3.12Å; P787-M790 PolarHBondContact O-N 3.43Å; M790-T794 WeakPolarHBondContact O-CB 3.5Å; M790-T794 PolarHBondContact O-N 3.13Å; M790-T794 PolarHBondContact O-OG1 3.26Å
791	Q	97.7	Very high	95.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63	-47.7	176.2	-75.2	165.2	6.3	0	0	112	I746 D748 F759 P787 E788 T794 Y795	I746-Q791 HydrophobicContact CD1-CB 3.65Å; I746-Q791 HydrophobicContact CD1-CG 4.06Å; D748-Q791 PolarHBondContact OD2-NE2 3.39Å; F759-Q791 HydrophobicContact CD1-CG 3.96Å; F759-Q791 HydrophobicContact CD2-CG 3.84Å; F759-Q791 HydrophobicContact CE1-CG 4Å; F759-Q791 HydrophobicContact CE2-CB 4.43Å; F759-Q791 HydrophobicContact CE2-CG 3.87Å; F759-Q791 HydrophobicContact CG-CG 3.88Å; F759-Q791 HydrophobicContact CZ-CG 3.96Å; P787-Q791 WeakPolarHBondContact O-CB 3.48Å; P787-Q791 WeakPolarHBondContact O-CG 3.16Å; P787-Q791 PolarHBondContact O-N 2.62Å; E788-Q791 PolarHBondContact O-N 2.66Å; Q791-T794 WeakPolarHBondContact O-CB 3.3Å; Q791-T794 PolarHBondContact O-N 3.24Å; Q791-Y795 PolarHBondContact O-N 3.37Å
792	K	97.2	Very high	95.9	Very high	66 Å²	66	23 Å²	23	29%	0.287	14%	0.136	S	C	.	.	H	α-helix	trans	-64.8	-41.3	177.8	-174.2	164.6	64	-164.5	0	112.1	D93 I438 E788 K789 T794 Y795 K796	D93-K792 IonicContact OD2-NZ 2.72Å; D93-K792 PolarHBondContact OD2-NZ 2.95Å; I438-K792 HydrophobicContact CD1-CB 4.26Å; I438-K792 HydrophobicContact CG2-CG 4.48Å; E788-K792 VanDerWaalsContact O-CB 3.23Å; E788-K792 WeakPolarHBondContact O-CB 3.37Å; E788-K792 PolarHBondContact O-N 3.48Å; K789-K792 PolarHBondContact O-N 3.48Å; K792-T794 VanDerWaalsContact C-N 3.35Å; K792-Y795 PolarHBondContact O-N 3.47Å; K792-K796 WeakPolarHBondContact O-CG 3.44Å; K792-K796 PolarHBondContact O-N 3.36Å
793	L	97.6	Very high	96	Very high	8 Å²	8	23.9 Å²	23.9	4%	0.042	14%	0.137	C	C	.	.	H	α-helix	trans	-58.4	-48.2	172	176.6	60.3	0	0	0	110.7	L603 L605 L608 V681 K789 Y795 K796 M797	L603-L793 HydrophobicContact CD1-CD1 3.49Å; L603-L793 VanDerWaalsContact CD1-CD1 3.49Å; L605-L793 HydrophobicContact CD1-CD1 4.23Å; L605-L793 HydrophobicContact CD1-CD2 3.89Å; L608-L793 HydrophobicContact CD2-CD1 4.06Å; L608-L793 HydrophobicContact CD2-CD2 4.24Å; V681-L793 HydrophobicContact CG2-CD2 4.02Å; K789-L793 VanDerWaalsContact O-CB 3.24Å; K789-L793 WeakPolarHBondContact O-CB 3.44Å; K789-L793 PolarHBondContact O-N 3.49Å; L793-Y795 VanDerWaalsContact C-N 3.31Å; L793-Y795 PolarHBondContact O-N 2.9Å; L793-K796 WeakPolarHBondContact O-CB 3.28Å; L793-K796 PolarHBondContact O-N 2.83Å; L793-K796 VanDerWaalsContact O-N 3.16Å; L793-M797 HydrophobicContact CD1-CG 4.32Å; L793-M797 HydrophobicContact CD1-SD 4.43Å; L793-M797 WeakPolarHBondContact O-CG 3.33Å; L793-M797 PolarHBondContact O-N 2.86Å
794	T	98.3	Very high	96.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-58.3	-43.4	177.9	-58.5	0	0	0	0	111.7	Y683 F759 L761 Y776 M790 Q791 K792 M797 C798 P811	Y683-T794 HydrophobicContact CE1-CG2 3.98Å; Y683-T794 VanDerWaalsContact OH-CA 3.25Å; Y683-T794 WeakPolarHBondContact OH-CA 3.42Å; Y683-T794 WeakPolarHBondContact OH-CB 3.4Å; Y683-T794 PolarHBondContact OH-OG1 3.11Å; F759-T794 HydrophobicContact CE2-CG2 4.49Å; F759-T794 HydrophobicContact CZ-CG2 4.36Å; L761-T794 HydrophobicContact CD2-CG2 4.2Å; Y776-T794 HydrophobicContact CD1-CG2 3.63Å; Y776-T794 HydrophobicContact CD2-CG2 4.4Å; Y776-T794 HydrophobicContact CE1-CG2 3.26Å; Y776-T794 HydrophobicContact CE2-CG2 4.11Å; Y776-T794 HydrophobicContact CG-CG2 4.19Å; M790-T794 WeakPolarHBondContact O-CB 3.5Å; M790-T794 PolarHBondContact O-N 3.13Å; M790-T794 PolarHBondContact O-OG1 3.26Å; Q791-T794 WeakPolarHBondContact O-CB 3.3Å; Q791-T794 PolarHBondContact O-N 3.24Å; K792-T794 VanDerWaalsContact C-N 3.35Å; T794-M797 PolarHBondContact O-N 3.17Å; T794-C798 PolarHBondContact O-N 3.22Å; T794-C798 PolarHBondContact O-SG 2.88Å; T794-P811 HydrophobicContact CG2-CG 4.22Å
795	Y	98.3	Very high	96.5	Very high	8 Å²	8	25.5 Å²	25.5	3%	0.031	12%	0.12	C	C	.	.	H	α-helix	trans	-65.1	-42.9	175.6	-173.6	-128.8	0	0	0	112.4	I438 Q441 G744 L761 Q791 K792 L793 M797 C798 H799 T807	I438-Y795 HydrophobicContact CB-CD1 4.13Å; I438-Y795 HydrophobicContact CB-CE1 4.42Å; I438-Y795 HydrophobicContact CD1-CD1 4.48Å; I438-Y795 HydrophobicContact CG2-CD1 3.92Å; I438-Y795 HydrophobicContact CG2-CE1 4.36Å; Q441-Y795 HydrophobicContact CG-CD1 4.01Å; Q441-Y795 HydrophobicContact CG-CE1 3.95Å; G744-Y795 PolarHBondContact N-OH 3.36Å; L761-Y795 HydrophobicContact CD1-CD2 3.95Å; L761-Y795 HydrophobicContact CD1-CG 4.39Å; L761-Y795 HydrophobicContact CD2-CD2 4.16Å; Q791-Y795 PolarHBondContact O-N 3.37Å; K792-Y795 PolarHBondContact O-N 3.47Å; L793-Y795 VanDerWaalsContact C-N 3.31Å; L793-Y795 PolarHBondContact O-N 2.9Å; Y795-M797 VanDerWaalsContact C-N 3.31Å; Y795-M797 PolarHBondContact O-N 3.05Å; Y795-C798 VanDerWaalsContact O-CB 3.3Å; Y795-C798 WeakPolarHBondContact O-CB 3.3Å; Y795-C798 PolarHBondContact O-N 3.31Å; Y795-H799 AromaticContact CD1-CE1 3.88Å; Y795-H799 AromaticContact CE1-CE1 3.66Å; Y795-H799 AromaticContact CE2-CE1 3.77Å; Y795-H799 AromaticContact CZ-CE1 3.59Å; Y795-H799 AromaticContact CZ-NE2 3.96Å; Y795-H799 PolarHBondContact O-CE1 2.89Å; Y795-H799 VanDerWaalsContact O-CE1 3.25Å; Y795-H799 PolarHBondContact O-ND1 3.12Å; Y795-T807 HydrophobicContact CE2-CG2 4.13Å
796	K	98.1	Very high	96.8	Very high	19 Å²	19	23.9 Å²	23.9	8%	0.083	11%	0.112	C	C	.	.	H	α-helix	trans	-56.1	-44.4	172.9	-75.7	176.7	177	-69.2	0	111.8	Q441 I601 E602 K792 L793 C798 H799	Q441-K796 HydrophobicContact CG-CG 4.44Å; Q441-K796 VanDerWaalsContact OE1-CG 3.3Å; I601-K796 HydrophobicContact CG1-CB 4.08Å; I601-K796 HydrophobicContact CG1-CD 4.45Å; I601-K796 HydrophobicContact CG1-CG 3.95Å; I601-K796 HydrophobicContact CG2-CB 4.28Å; E602-K796 WeakPolarHBondContact O-CD 3.42Å; E602-K796 VanDerWaalsContact O-CE 3.28Å; E602-K796 WeakPolarHBondContact O-CE 3.5Å; E602-K796 PolarHBondContact O-NZ 3.18Å; K792-K796 WeakPolarHBondContact O-CG 3.44Å; K792-K796 PolarHBondContact O-N 3.36Å; L793-K796 WeakPolarHBondContact O-CB 3.28Å; L793-K796 PolarHBondContact O-N 2.83Å; L793-K796 VanDerWaalsContact O-N 3.16Å; K796-C798 PolarHBondContact O-N 3.25Å; K796-C798 VanDerWaalsContact O-N 3.16Å; K796-H799 WeakPolarHBondContact O-CB 3.46Å; K796-H799 PolarHBondContact O-N 3.46Å; K796-H799 PolarHBondContact O-ND1 2.84Å
797	M	98.4	Very high	96.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.7	-20.3	177.9	-62.6	-51.7	-61.3	0	0	113.5	T610 L635 Y683 L793 T794 Y795 H799 L800 P811 A812	T610-M797 HydrophobicContact CG2-CE 3.68Å; T610-M797 HydrophobicContact CG2-CG 4.38Å; T610-M797 HydrophobicContact CG2-SD 4.43Å; L635-M797 HydrophobicContact CD1-CE 3.94Å; L635-M797 HydrophobicContact CD1-SD 4.34Å; Y683-M797 HydrophobicContact CE2-CG 4.36Å; L793-M797 HydrophobicContact CD1-CG 4.32Å; L793-M797 HydrophobicContact CD1-SD 4.43Å; L793-M797 WeakPolarHBondContact O-CG 3.33Å; L793-M797 PolarHBondContact O-N 2.86Å; T794-M797 PolarHBondContact O-N 3.17Å; Y795-M797 VanDerWaalsContact C-N 3.31Å; Y795-M797 PolarHBondContact O-N 3.05Å; M797-H799 PolarHBondContact O-N 2.95Å; M797-L800 HydrophobicContact CE-CD1 3.98Å; M797-L800 HydrophobicContact SD-CD1 4.1Å; M797-P811 HydrophobicContact CB-CB 3.93Å; M797-A812 VanDerWaalsContact O-CB 3.31Å; M797-A812 WeakPolarHBondContact O-CB 3.33Å; M797-A812 PolarHBondContact O-N 3.29Å
798	C	98.3	Very high	97	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-7.6	172.6	-68.2	0	0	0	0	114.3	T794 Y795 K796 T807 T808 V810	T794-C798 PolarHBondContact O-N 3.22Å; T794-C798 PolarHBondContact O-SG 2.88Å; Y795-C798 VanDerWaalsContact O-CB 3.3Å; Y795-C798 WeakPolarHBondContact O-CB 3.3Å; Y795-C798 PolarHBondContact O-N 3.31Å; K796-C798 PolarHBondContact O-N 3.25Å; K796-C798 VanDerWaalsContact O-N 3.16Å; C798-T807 WeakPolarHBondContact O-CA 3.46Å; C798-T808 WeakPolarHBondContact CB-O 3.39Å; C798-T808 PolarHBondContact O-N 2.8Å; C798-T808 PolarHBondContact O-OG1 2.87Å; C798-V810 VanDerWaalsContact SG-C 3.56Å
799	H	98.4	Very high	97.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-6.7	-179.9	-63.2	72	0	0	0	113.2	I443 W458 W599 I601 Y795 K796 M797 T807	I443-H799 HydrophobicContact CD1-CB 4.28Å; W458-H799 HydrophobicContact CH2-CB 3.89Å; W458-H799 AromaticContact CH2-CD2 3.81Å; W458-H799 WeakPolarHBondContact CZ2-O 3.41Å; W458-H799 AromaticContact CZ3-CD2 3.66Å; W599-H799 PolarHBondContact NE1-O 3.02Å; I601-H799 HydrophobicContact CD1-CB 4.46Å; Y795-H799 AromaticContact CD1-CE1 3.88Å; Y795-H799 AromaticContact CE1-CE1 3.66Å; Y795-H799 AromaticContact CE2-CE1 3.77Å; Y795-H799 AromaticContact CZ-CE1 3.59Å; Y795-H799 AromaticContact CZ-NE2 3.96Å; Y795-H799 PolarHBondContact O-CE1 2.89Å; Y795-H799 VanDerWaalsContact O-CE1 3.25Å; Y795-H799 PolarHBondContact O-ND1 3.12Å; K796-H799 WeakPolarHBondContact O-CB 3.46Å; K796-H799 PolarHBondContact O-N 3.46Å; K796-H799 PolarHBondContact O-ND1 2.84Å; M797-H799 PolarHBondContact O-N 2.95Å; H799-T807 VanDerWaalsContact CD2-CG2 3.47Å; H799-T807 WeakPolarHBondContact CD2-CG2 3.12Å; H799-T807 VanDerWaalsContact CE1-CG2 3.45Å; H799-T807 WeakPolarHBondContact CE1-CG2 3.28Å; H799-T807 WeakPolarHBondContact NE2-CG2 3.28Å
800	L	98.3	Very high	97.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.076	C	C	.	.			trans	-102.9	18.4	-166.6	-63.4	175.6	0	0	0	114.3	M600 I601 L635 M797 Y802 A812 Y816	M600-L800 HydrophobicContact SD-CD1 4.28Å; M600-L800 HydrophobicContact SD-CD2 3.73Å; I601-L800 HydrophobicContact CB-CD2 4.1Å; I601-L800 HydrophobicContact CG2-CD1 3.91Å; I601-L800 HydrophobicContact CG2-CD2 3.96Å; I601-L800 HydrophobicContact CG2-CG 4.11Å; L635-L800 HydrophobicContact CD1-CD1 3.68Å; M797-L800 HydrophobicContact CE-CD1 3.98Å; M797-L800 HydrophobicContact SD-CD1 4.1Å; L800-Y802 PolarHBondContact O-N 2.98Å; L800-A812 HydrophobicContact CB-CB 3.72Å; L800-A812 WeakPolarHBondContact O-CB 3.34Å; L800-Y816 PolarHBondContact O-OH 2.78Å
801	Y	98.3	Very high	97.3	Very high	19 Å²	19	17.4 Å²	17.4	8%	0.075	8%	0.076	C	C	.	.			trans	-92.5	99.6	176.7	-179.5	-110.9	0	0	0	111.2	N803 W804 T808 Q815 Y816 L843	Y801-N803 HydrophobicContact CD1-CB 4.28Å; Y801-N803 HydrophobicContact CE1-CB 3.56Å; Y801-N803 HydrophobicContact CE2-CB 4.41Å; Y801-N803 PolarHBondContact O-N 2.83Å; Y801-W804 HydrophobicContact CD1-CB 3.84Å; Y801-W804 HydrophobicContact CE1-CB 4.3Å; Y801-W804 PolarHBondContact O-N 2.78Å; Y801-T808 HydrophobicContact CD1-CG2 3.55Å; Y801-T808 HydrophobicContact CG-CG2 3.91Å; Y801-Q815 HydrophobicContact CD1-CG 3.99Å; Y801-Q815 HydrophobicContact CD2-CB 3.86Å; Y801-Q815 HydrophobicContact CD2-CG 3.64Å; Y801-Q815 HydrophobicContact CE1-CG 3.88Å; Y801-Q815 HydrophobicContact CE2-CB 4.14Å; Y801-Q815 HydrophobicContact CE2-CG 3.56Å; Y801-Q815 HydrophobicContact CG-CB 4.23Å; Y801-Q815 HydrophobicContact CG-CG 3.86Å; Y801-Y816 AromaticContact CD2-CD1 3.61Å; Y801-Y816 HydrophobicContact CD2-CD1 3.61Å; Y801-Y816 AromaticContact CD2-CE1 3.42Å; Y801-Y816 HydrophobicContact CD2-CE1 3.42Å; Y801-Y816 VanDerWaalsContact CD2-CE1 3.42Å; Y801-Y816 HydrophobicContact CD2-CE2 4.34Å; Y801-Y816 HydrophobicContact CD2-CG 4.19Å; Y801-Y816 AromaticContact CD2-CZ 3.82Å; Y801-Y816 AromaticContact CE2-CD1 3.58Å; Y801-Y816 HydrophobicContact CE2-CD1 3.58Å; Y801-Y816 AromaticContact CE2-CE1 3.64Å; Y801-Y816 HydrophobicContact CE2-CE1 3.64Å; Y801-Y816 HydrophobicContact CE2-CG 4.4Å; Y801-L843 HydrophobicContact CE2-CD2 3.91Å
802	Y	98	Very high	97.3	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.016	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-14	-166.8	-56.1	-37.9	0	0	0	116.9	C592 T597 P598 W599 Y641 L800 W804 Y816 F840	C592-Y802 WeakPolarHBondContact SG-CB 3.36Å; T597-Y802 HydrophobicContact CG2-CE1 4.21Å; T597-Y802 HydrophobicContact CG2-CE2 3.94Å; T597-Y802 WeakPolarHBondContact CG2-OH 3.38Å; P598-Y802 HydrophobicContact CG-CD1 4.45Å; P598-Y802 HydrophobicContact CG-CD2 4.48Å; P598-Y802 HydrophobicContact CG-CG 4.14Å; W599-Y802 AromaticContact CD2-CD1 3.85Å; W599-Y802 HydrophobicContact CD2-CD1 3.85Å; W599-Y802 HydrophobicContact CD2-CE1 4.19Å; W599-Y802 AromaticContact CE2-CD1 3.63Å; W599-Y802 HydrophobicContact CE3-CD1 4.13Å; W599-Y802 HydrophobicContact CG-CD1 4.48Å; W599-Y802 HydrophobicContact CG-CE1 4.35Å; W599-Y802 VanDerWaalsContact CH2-CA 3.47Å; W599-Y802 HydrophobicContact CH2-CD1 4.14Å; W599-Y802 WeakPolarHBondContact CH2-O 3.28Å; W599-Y802 AromaticContact CZ2-CD1 3.8Å; W599-Y802 HydrophobicContact CZ2-CD1 3.8Å; W599-Y802 HydrophobicContact CZ3-CD1 4.27Å; W599-Y802 VanDerWaalsContact O-CE1 3.25Å; W599-Y802 WeakPolarHBondContact O-CE1 3.46Å; W599-Y802 PolarHBondContact O-OH 2.96Å; Y641-Y802 HydrophobicContact CE2-CE2 4.22Å; L800-Y802 PolarHBondContact O-N 2.98Å; Y802-W804 PolarHBondContact O-N 2.97Å; Y802-Y816 WeakPolarHBondContact CD2-OH 3.42Å; Y802-Y816 VanDerWaalsContact CG-OH 3.22Å; Y802-Y816 PolarHBondContact N-OH 3.3Å; Y802-F840 HydrophobicContact CD2-CD2 4.45Å; Y802-F840 AromaticContact CD2-CE2 3.81Å; Y802-F840 HydrophobicContact CD2-CE2 3.81Å; Y802-F840 AromaticContact CD2-CZ 3.82Å; Y802-F840 HydrophobicContact CD2-CZ 3.82Å; Y802-F840 AromaticContact CE2-CE2 3.73Å; Y802-F840 HydrophobicContact CE2-CE2 3.73Å; Y802-F840 AromaticContact CE2-CZ 3.65Å; Y802-F840 HydrophobicContact CE2-CZ 3.65Å
803	N	95.8	Very high	97.4	Very high	63 Å²	63	14.2 Å²	14.2	34%	0.337	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-1.2	175.1	-145.4	32.1	0	0	0	113	Y801 L843	Y801-N803 HydrophobicContact CD1-CB 4.28Å; Y801-N803 HydrophobicContact CE1-CB 3.56Å; Y801-N803 HydrophobicContact CE2-CB 4.41Å; Y801-N803 PolarHBondContact O-N 2.83Å; N803-L843 HydrophobicContact CB-CD2 4.19Å
804	W	95.6	Very high	97.4	Very high	106 Å²	106	13.9 Å²	13.9	40%	0.402	6%	0.061	S	C	.	.	S	Bend	trans	-139.9	115.3	179.2	-174.7	-103.7	0	0	0	109.9	W599 Y801 Y802 G806 T807 T808	W599-W804 WeakPolarHBondContact CZ2-O 3.45Å; Y801-W804 HydrophobicContact CD1-CB 3.84Å; Y801-W804 HydrophobicContact CE1-CB 4.3Å; Y801-W804 PolarHBondContact O-N 2.78Å; Y802-W804 PolarHBondContact O-N 2.97Å; W804-G806 VanDerWaalsContact CD1-C 3.47Å; W804-G806 VanDerWaalsContact CD1-O 3.28Å; W804-G806 PolarHBondContact O-N 3.42Å; W804-T807 PolarHBondContact NE1-O 3.19Å; W804-T808 HydrophobicContact CB-CG2 4.23Å; W804-T808 HydrophobicContact CG-CG2 4.42Å
805	S	93.8	Very high	97.4	Very high	11 Å²	11	16 Å²	16	8%	0.077	7%	0.071	C	C	.	.	S	Bend	trans	-79.1	53.9	179.8	54.2	0	0	0	0	112.2	W458 Q459	W458-S805 PolarHBondContact N-O 3.38Å; Q459-S805 WeakPolarHBondContact CB-OG 3.29Å; Q459-S805 WeakPolarHBondContact CG-OG 2.99Å
806	G	96.1	Very high	97.4	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.01	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	-172.5	-178.4	-177.5	0	0	0	0	0	110	A456 W458 W804	A456-G806 CarbonylContact O-C 3.48Å; A456-G806 WeakPolarHBondContact O-CA 3.18Å; W458-G806 VanDerWaalsContact CH2-O 3.3Å; W458-G806 WeakPolarHBondContact CH2-O 3.49Å; W458-G806 VanDerWaalsContact CZ3-C 3.48Å; W804-G806 VanDerWaalsContact CD1-C 3.47Å; W804-G806 VanDerWaalsContact CD1-O 3.28Å; W804-G806 PolarHBondContact O-N 3.42Å
807	T	97.2	Very high	97.3	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.012	7%	0.065	C	C	.	.			trans	-72.1	141.9	174.5	47.9	0	0	0	0	112.6	A456 W458 S763 Q764 Y795 C798 H799 W804	A456-T807 HydrophobicContact CB-CG2 3.77Å; A456-T807 WeakPolarHBondContact CB-OG1 3.37Å; A456-T807 PolarHBondContact O-N 2.66Å; A456-T807 VanDerWaalsContact O-N 3.08Å; W458-T807 HydrophobicContact CZ3-CG2 4.47Å; S763-T807 WeakPolarHBondContact O-CB 3.38Å; S763-T807 PolarHBondContact O-OG1 3.13Å; Q764-T807 PolarHBondContact NE2-O 2.97Å; Y795-T807 HydrophobicContact CE2-CG2 4.13Å; C798-T807 WeakPolarHBondContact O-CA 3.46Å; H799-T807 VanDerWaalsContact CD2-CG2 3.47Å; H799-T807 WeakPolarHBondContact CD2-CG2 3.12Å; H799-T807 VanDerWaalsContact CE1-CG2 3.45Å; H799-T807 WeakPolarHBondContact CE1-CG2 3.28Å; H799-T807 WeakPolarHBondContact NE2-CG2 3.28Å; W804-T807 PolarHBondContact NE1-O 3.19Å
808	T	96.8	Very high	97.2	Very high	6 Å²	6	18 Å²	18	4%	0.037	8%	0.079	C	C	.	.			trans	-100.3	154.6	171.7	51	0	0	0	0	112.3	S763 C798 Y801 W804 V810	S763-T808 WeakPolarHBondContact CB-O 3.46Å; S763-T808 PolarHBondContact OG-O 3.02Å; C798-T808 WeakPolarHBondContact CB-O 3.39Å; C798-T808 PolarHBondContact O-N 2.8Å; C798-T808 PolarHBondContact O-OG1 2.87Å; Y801-T808 HydrophobicContact CD1-CG2 3.55Å; Y801-T808 HydrophobicContact CG-CG2 3.91Å; W804-T808 HydrophobicContact CB-CG2 4.23Å; W804-T808 HydrophobicContact CG-CG2 4.42Å; T808-V810 PolarHBondContact O-N 3.11Å; T808-V810 VanDerWaalsContact O-N 3.17Å; T808-V810 PolarHBondContact OG1-O 2.91Å
809	R	95.1	Very high	97.2	Very high	52 Å²	52	20.5 Å²	20.5	20%	0.196	9%	0.09	C	C	.	.	S	Bend	trans	-59.3	-26.9	-178.5	-176.5	168.8	179.7	-168.2	-4.3	114.7	S729 S763 Q764 S772 P773 T774	S729-R809 PolarHBondContact O-NH2 3.45Å; S763-R809 VanDerWaalsContact OG-CA 3.29Å; S763-R809 WeakPolarHBondContact OG-CA 3.5Å; S763-R809 PolarHBondContact OG-O 2.92Å; Q764-R809 HydrophobicContact CB-CB 4.33Å; S772-R809 PolarHBondContact O-NE 2.98Å; S772-R809 VanDerWaalsContact O-NE 3.14Å; S772-R809 PolarHBondContact O-NH2 3.43Å; P773-R809 PolarHBondContact O-NH2 3.46Å; T774-R809 WeakPolarHBondContact CB-O 3.48Å; T774-R809 VanDerWaalsContact OG1-CG 3.25Å; T774-R809 WeakPolarHBondContact OG1-CG 3.5Å; T774-R809 PolarHBondContact OG1-O 3.3Å
810	V	97.2	Very high	97.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-127.3	164.3	178.3	-61.8	0	0	0	0	109	V726 R728 T774 C798 T808 C814 Q815	V726-V810 HydrophobicContact CG1-CB 4.24Å; V726-V810 HydrophobicContact CG1-CG1 3.79Å; R728-V810 HydrophobicContact CG-CG1 4.32Å; T774-V810 HydrophobicContact CG2-CG1 4.2Å; C798-V810 VanDerWaalsContact SG-C 3.56Å; T808-V810 PolarHBondContact O-N 3.11Å; T808-V810 VanDerWaalsContact O-N 3.17Å; T808-V810 PolarHBondContact OG1-O 2.91Å; V810-C814 HydrophobicContact CB-CB 4.18Å; V810-C814 HydrophobicContact CG2-CB 3.89Å; V810-Q815 HydrophobicContact CG2-CB 4.03Å
811	P	98.4	Very high	97	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.09	C	C	.	.			trans	-54.6	147	173.2	-27.8	38.3	0	0	0	111.6	Y683 Y776 T794 M797 V813 C814 Q815	Y683-P811 HydrophobicContact CD1-CG 3.89Å; Y683-P811 HydrophobicContact CD2-CB 3.99Å; Y683-P811 HydrophobicContact CD2-CG 4.08Å; Y683-P811 HydrophobicContact CE1-CG 3.86Å; Y683-P811 HydrophobicContact CE2-CB 4.07Å; Y683-P811 HydrophobicContact CE2-CG 4.06Å; Y683-P811 HydrophobicContact CG-CB 4.3Å; Y683-P811 HydrophobicContact CG-CG 4Å; Y776-P811 HydrophobicContact CE1-CG 3.93Å; T794-P811 HydrophobicContact CG2-CG 4.22Å; M797-P811 HydrophobicContact CB-CB 3.93Å; P811-V813 VanDerWaalsContact C-N 3.27Å; P811-V813 HydrophobicContact CB-CG2 4.35Å; P811-V813 PolarHBondContact O-N 3.42Å; P811-C814 WeakPolarHBondContact O-CB 3.49Å; P811-C814 PolarHBondContact O-N 3.2Å; P811-Q815 PolarHBondContact O-N 2.91Å
812	A	98.3	Very high	96.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-55.4	-41.9	-173.6	0	0	0	0	0	112.7	M797 L800 C814 Q815 Y816	M797-A812 VanDerWaalsContact O-CB 3.31Å; M797-A812 WeakPolarHBondContact O-CB 3.33Å; M797-A812 PolarHBondContact O-N 3.29Å; L800-A812 HydrophobicContact CB-CB 3.72Å; L800-A812 WeakPolarHBondContact O-CB 3.34Å; A812-C814 VanDerWaalsContact C-N 3.31Å; A812-C814 PolarHBondContact O-N 2.91Å; A812-Q815 PolarHBondContact O-N 3.1Å; A812-Q815 VanDerWaalsContact O-N 3.07Å; A812-Y816 HydrophobicContact CB-CD2 4.23Å; A812-Y816 HydrophobicContact CB-CE2 3.87Å; A812-Y816 WeakPolarHBondContact O-CD2 3.26Å; A812-Y816 PolarHBondContact O-N 2.98Å
813	V	98.5	Very high	96.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-59.7	-37.3	177.9	-65.1	0	0	0	0	113	T610 I630 Y641 Y683 P811 A817	T610-V813 HydrophobicContact CG2-CG1 4.36Å; T610-V813 HydrophobicContact CG2-CG2 3.94Å; I630-V813 HydrophobicContact CG2-CG1 4.45Å; Y641-V813 HydrophobicContact CD1-CG1 4.19Å; Y641-V813 HydrophobicContact CE1-CG1 3.75Å; Y683-V813 HydrophobicContact CD2-CG2 3.99Å; P811-V813 VanDerWaalsContact C-N 3.27Å; P811-V813 HydrophobicContact CB-CG2 4.35Å; P811-V813 PolarHBondContact O-N 3.42Å; V813-A817 WeakPolarHBondContact O-CB 3.46Å; V813-A817 PolarHBondContact O-N 3.31Å
814	C	97.9	Very high	96.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-67.4	-42.7	173.7	-62.7	0	0	0	0	111.1	Y683 D685 V810 P811 A812 Y816 A817 K818	Y683-C814 WeakPolarHBondContact CB-SG 3.2Å; D685-C814 HydrophobicContact CB-CB 4.28Å; V810-C814 HydrophobicContact CB-CB 4.18Å; V810-C814 HydrophobicContact CG2-CB 3.89Å; P811-C814 WeakPolarHBondContact O-CB 3.49Å; P811-C814 PolarHBondContact O-N 3.2Å; A812-C814 VanDerWaalsContact C-N 3.31Å; A812-C814 PolarHBondContact O-N 2.91Å; C814-Y816 VanDerWaalsContact C-N 3.34Å; C814-Y816 PolarHBondContact O-N 3.48Å; C814-A817 PolarHBondContact O-N 3.41Å; C814-K818 WeakPolarHBondContact O-CB 3.14Å; C814-K818 PolarHBondContact O-N 3.16Å
815	Q	97.8	Very high	96.8	Very high	44 Å²	44	14.4 Å²	14.4	21%	0.206	7%	0.07	C	C	.	.	H	α-helix	trans	-66.8	-37.3	-179.8	-169.2	59.1	46.5	0	0	111.7	Y801 V810 P811 A812 K819	Y801-Q815 HydrophobicContact CD1-CG 3.99Å; Y801-Q815 HydrophobicContact CD2-CB 3.86Å; Y801-Q815 HydrophobicContact CD2-CG 3.64Å; Y801-Q815 HydrophobicContact CE1-CG 3.88Å; Y801-Q815 HydrophobicContact CE2-CB 4.14Å; Y801-Q815 HydrophobicContact CE2-CG 3.56Å; Y801-Q815 HydrophobicContact CG-CB 4.23Å; Y801-Q815 HydrophobicContact CG-CG 3.86Å; V810-Q815 HydrophobicContact CG2-CB 4.03Å; P811-Q815 PolarHBondContact O-N 2.91Å; A812-Q815 PolarHBondContact O-N 3.1Å; A812-Q815 VanDerWaalsContact O-N 3.07Å; Q815-K819 WeakPolarHBondContact O-CB 3.27Å; Q815-K819 PolarHBondContact O-N 3.44Å
816	Y	98.6	Very high	96.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-65	-47.3	171.9	-70.2	-51	0	0	0	111.9	I630 Y641 L800 Y801 Y802 A812 C814 K818 K819 L820 F840 Y842 L843	I630-Y816 HydrophobicContact CG2-CD2 4.45Å; Y641-Y816 HydrophobicContact CE1-CE2 4.5Å; L800-Y816 PolarHBondContact O-OH 2.78Å; Y801-Y816 AromaticContact CD2-CD1 3.61Å; Y801-Y816 HydrophobicContact CD2-CD1 3.61Å; Y801-Y816 AromaticContact CD2-CE1 3.42Å; Y801-Y816 HydrophobicContact CD2-CE1 3.42Å; Y801-Y816 VanDerWaalsContact CD2-CE1 3.42Å; Y801-Y816 HydrophobicContact CD2-CE2 4.34Å; Y801-Y816 HydrophobicContact CD2-CG 4.19Å; Y801-Y816 AromaticContact CD2-CZ 3.82Å; Y801-Y816 AromaticContact CE2-CD1 3.58Å; Y801-Y816 HydrophobicContact CE2-CD1 3.58Å; Y801-Y816 AromaticContact CE2-CE1 3.64Å; Y801-Y816 HydrophobicContact CE2-CE1 3.64Å; Y801-Y816 HydrophobicContact CE2-CG 4.4Å; Y802-Y816 WeakPolarHBondContact CD2-OH 3.42Å; Y802-Y816 VanDerWaalsContact CG-OH 3.22Å; Y802-Y816 PolarHBondContact N-OH 3.3Å; A812-Y816 HydrophobicContact CB-CD2 4.23Å; A812-Y816 HydrophobicContact CB-CE2 3.87Å; A812-Y816 WeakPolarHBondContact O-CD2 3.26Å; A812-Y816 PolarHBondContact O-N 2.98Å; C814-Y816 VanDerWaalsContact C-N 3.34Å; C814-Y816 PolarHBondContact O-N 3.48Å; Y816-K818 VanDerWaalsContact C-N 3.34Å; Y816-K818 PolarHBondContact O-N 3.49Å; Y816-K819 PolarHBondContact O-N 3Å; Y816-K819 VanDerWaalsContact O-N 3.16Å; Y816-L820 WeakPolarHBondContact O-CB 3.39Å; Y816-L820 PolarHBondContact O-N 3.12Å; Y816-F840 HydrophobicContact CD1-CD1 4.05Å; Y816-F840 HydrophobicContact CD1-CE1 4.01Å; Y816-F840 HydrophobicContact CD2-CE1 4.08Å; Y816-F840 AromaticContact CE1-CD1 3.74Å; Y816-F840 HydrophobicContact CE1-CD1 3.74Å; Y816-F840 AromaticContact CE1-CE1 3.59Å; Y816-F840 HydrophobicContact CE1-CE1 3.59Å; Y816-F840 AromaticContact CE2-CE1 3.71Å; Y816-F840 HydrophobicContact CE2-CE1 3.71Å; Y816-F840 HydrophobicContact CE2-CZ 4.28Å; Y816-F840 HydrophobicContact CG-CE1 4.24Å; Y816-F840 AromaticContact CZ-CE1 3.42Å; Y816-F840 VanDerWaalsContact CZ-CE1 3.42Å; Y816-Y842 AromaticContact CD1-CE2 3.85Å; Y816-Y842 HydrophobicContact CD1-CE2 3.85Å; Y816-Y842 HydrophobicContact CG-CE2 4.29Å; Y816-L843 HydrophobicContact CD1-CD2 3.97Å; Y816-L843 HydrophobicContact CE1-CD1 4.16Å; Y816-L843 HydrophobicContact CE1-CD2 3.9Å; Y816-L843 HydrophobicContact CE1-CG 4.42Å
817	A	97.4	Very high	96.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-57.5	-48.1	177.4	0	0	0	0	0	110.8	D614 A628 I630 V813 C814 K819 L820 A821	D614-A817 HydrophobicContact CB-CB 4.04Å; A628-A817 WeakPolarHBondContact CB-O 3.02Å; A628-A817 WeakPolarHBondContact O-CB 3.46Å; I630-A817 HydrophobicContact CG1-CB 3.91Å; V813-A817 WeakPolarHBondContact O-CB 3.46Å; V813-A817 PolarHBondContact O-N 3.31Å; C814-A817 PolarHBondContact O-N 3.41Å; A817-K819 PolarHBondContact O-N 2.84Å; A817-L820 PolarHBondContact O-N 2.85Å; A817-A821 WeakPolarHBondContact O-CB 3.27Å; A817-A821 PolarHBondContact O-N 2.95Å
818	K	96.1	Very high	96.6	Very high	69 Å²	69	17.5 Å²	17.5	30%	0.3	9%	0.087	S	C	.	.	H	α-helix	trans	-56.6	-46.8	174.9	-174.5	170.4	-178.6	-179.5	0	112.8	D614 C814 Y816 T822	D614-K818 HydrophobicContact CB-CB 4.33Å; D614-K818 WeakPolarHBondContact OD2-CA 3.34Å; D614-K818 WeakPolarHBondContact OD2-CB 3.38Å; D614-K818 VanDerWaalsContact OD2-CG 3.23Å; D614-K818 WeakPolarHBondContact OD2-CG 3.5Å; C814-K818 WeakPolarHBondContact O-CB 3.14Å; C814-K818 PolarHBondContact O-N 3.16Å; Y816-K818 VanDerWaalsContact C-N 3.34Å; Y816-K818 PolarHBondContact O-N 3.49Å; K818-T822 VanDerWaalsContact O-CB 3.23Å; K818-T822 WeakPolarHBondContact O-CB 3.09Å; K818-T822 PolarHBondContact O-N 3.4Å; K818-T822 PolarHBondContact O-OG1 3.22Å
819	K	97.8	Very high	96.5	Very high	53 Å²	53	19.3 Å²	19.3	23%	0.23	10%	0.095	C	C	.	.	H	α-helix	trans	-62.8	-43.1	-179.2	-175.7	61.9	161.3	72.6	0	111.1	Q815 Y816 A817 L823 Y842 L843	Q815-K819 WeakPolarHBondContact O-CB 3.27Å; Q815-K819 PolarHBondContact O-N 3.44Å; Y816-K819 PolarHBondContact O-N 3Å; Y816-K819 VanDerWaalsContact O-N 3.16Å; A817-K819 PolarHBondContact O-N 2.84Å; K819-L823 WeakPolarHBondContact O-CB 3.43Å; K819-L823 PolarHBondContact O-N 3.38Å; K819-Y842 HydrophobicContact CB-CD2 4.3Å; K819-Y842 HydrophobicContact CG-CD2 4.15Å; K819-Y842 WeakPolarHBondContact CG-O 3.49Å; K819-Y842 PolarHBondContact NZ-O 3.47Å; K819-L843 WeakPolarHBondContact CE-O 3.4Å; K819-L843 HydrophobicContact CG-CD2 4.36Å; K819-L843 PolarHBondContact NZ-O 2.73Å
820	L	98.1	Very high	96.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-68.3	-51.1	178.3	176.8	54.1	0	0	0	112	A628 I630 V645 Y816 A817 T822 L823 V824 Y841 Y842	A628-L820 HydrophobicContact CB-CB 4.07Å; A628-L820 HydrophobicContact CB-CD2 4.1Å; A628-L820 HydrophobicContact CB-CG 3.93Å; I630-L820 HydrophobicContact CD1-CD2 3.76Å; V645-L820 HydrophobicContact CG2-CD1 3.73Å; V645-L820 HydrophobicContact CG2-CD2 3.43Å; V645-L820 VanDerWaalsContact CG2-CD2 3.43Å; V645-L820 HydrophobicContact CG2-CG 3.39Å; Y816-L820 WeakPolarHBondContact O-CB 3.39Å; Y816-L820 PolarHBondContact O-N 3.12Å; A817-L820 PolarHBondContact O-N 2.85Å; L820-T822 VanDerWaalsContact C-N 3.3Å; L820-T822 PolarHBondContact O-N 2.96Å; L820-L823 PolarHBondContact O-N 2.81Å; L820-V824 HydrophobicContact CD1-CG2 4.16Å; L820-V824 WeakPolarHBondContact O-CG2 3.27Å; L820-V824 PolarHBondContact O-N 3.05Å; L820-Y841 HydrophobicContact CD1-CE2 4.14Å; L820-Y841 WeakPolarHBondContact CD1-OH 3.41Å; L820-Y842 HydrophobicContact CB-CD1 4.16Å; L820-Y842 HydrophobicContact CB-CD2 3.93Å; L820-Y842 HydrophobicContact CB-CE2 4.32Å; L820-Y842 HydrophobicContact CB-CG 3.84Å; L820-Y842 HydrophobicContact CD1-CD1 3.86Å; L820-Y842 HydrophobicContact CD1-CG 3.92Å; L820-Y842 HydrophobicContact CD2-CD1 4.08Å; L820-Y842 HydrophobicContact CD2-CE1 4.17Å; L820-Y842 HydrophobicContact CG-CD1 4.26Å; L820-Y842 HydrophobicContact CG-CG 4.31Å
821	A	95.2	Very high	96.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-56.9	-44.9	177.1	0	0	0	0	0	111.3	A616 A628 A817 V824 G825	A616-A821 VanDerWaalsContact CB-C 3.44Å; A616-A821 HydrophobicContact CB-CB 3.77Å; A616-A821 WeakPolarHBondContact CB-O 3.42Å; A628-A821 HydrophobicContact CB-CB 3.74Å; A817-A821 WeakPolarHBondContact O-CB 3.27Å; A817-A821 PolarHBondContact O-N 2.95Å; A821-V824 PolarHBondContact O-N 3.31Å; A821-G825 PolarHBondContact O-N 3.37Å
822	T	95.1	Very high	96.4	Very high	59 Å²	59	23 Å²	23	36%	0.362	12%	0.121	S	C	.	.	H	α-helix	trans	-64	-43.3	178.9	-57.2	0	0	0	0	111.8	K818 L820 V824 G825 T826	K818-T822 VanDerWaalsContact O-CB 3.23Å; K818-T822 WeakPolarHBondContact O-CB 3.09Å; K818-T822 PolarHBondContact O-N 3.4Å; K818-T822 PolarHBondContact O-OG1 3.22Å; L820-T822 VanDerWaalsContact C-N 3.3Å; L820-T822 PolarHBondContact O-N 2.96Å; T822-V824 VanDerWaalsContact C-N 3.3Å; T822-V824 PolarHBondContact O-N 3.36Å; T822-G825 PolarHBondContact O-N 2.88Å; T822-T826 WeakPolarHBondContact O-CB 3.32Å; T822-T826 PolarHBondContact O-N 3.5Å; T822-T826 PolarHBondContact O-OG1 3.4Å
823	L	97.5	Very high	96.4	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.031	14%	0.142	C	C	.	.	H	α-helix	trans	-58.7	-43.7	176	176.7	68.1	0	0	0	111	Y551 K555 Y559 K819 L820 N827 L828	Y551-L823 HydrophobicContact CE1-CD1 4.31Å; K555-L823 HydrophobicContact CG-CD1 4.43Å; Y559-L823 HydrophobicContact CD2-CD2 4.29Å; Y559-L823 HydrophobicContact CE2-CD2 4.09Å; K819-L823 WeakPolarHBondContact O-CB 3.43Å; K819-L823 PolarHBondContact O-N 3.38Å; L820-L823 PolarHBondContact O-N 2.81Å; L823-N827 HydrophobicContact CD1-CB 4.14Å; L823-N827 WeakPolarHBondContact O-CA 3.48Å; L823-N827 WeakPolarHBondContact O-CB 3.35Å; L823-N827 PolarHBondContact O-N 2.95Å; L823-L828 HydrophobicContact CD2-CD1 4.28Å; L823-L828 HydrophobicContact CG-CD1 4.13Å; L823-L828 HydrophobicContact CG-CG 4.18Å; L823-L828 PolarHBondContact O-N 2.68Å; L823-L828 VanDerWaalsContact O-N 3.11Å
824	V	97.1	Very high	96.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.165	C	C	.	.	I	π-helix	trans	-68.6	-48.9	179.2	178.4	0	0	0	0	111.1	Y626 V645 L820 A821 T822 T826 L828 H829 P832	Y626-V824 HydrophobicContact CD1-CG1 3.44Å; Y626-V824 VanDerWaalsContact CD1-CG1 3.44Å; Y626-V824 HydrophobicContact CD2-CG1 3.89Å; Y626-V824 HydrophobicContact CE1-CG1 3.72Å; Y626-V824 HydrophobicContact CE2-CG1 4.13Å; Y626-V824 HydrophobicContact CG-CB 4.3Å; Y626-V824 HydrophobicContact CG-CG1 3.52Å; V645-V824 HydrophobicContact CG1-CB 4.4Å; V645-V824 HydrophobicContact CG1-CG1 4.23Å; V645-V824 HydrophobicContact CG1-CG2 4.12Å; V645-V824 HydrophobicContact CG2-CG2 4.22Å; L820-V824 HydrophobicContact CD1-CG2 4.16Å; L820-V824 WeakPolarHBondContact O-CG2 3.27Å; L820-V824 PolarHBondContact O-N 3.05Å; A821-V824 PolarHBondContact O-N 3.31Å; T822-V824 VanDerWaalsContact C-N 3.3Å; T822-V824 PolarHBondContact O-N 3.36Å; V824-T826 VanDerWaalsContact C-N 3.32Å; V824-T826 PolarHBondContact O-N 2.94Å; V824-L828 HydrophobicContact CG2-CD1 3.99Å; V824-L828 PolarHBondContact O-N 2.76Å; V824-H829 WeakPolarHBondContact O-CA 3.41Å; V824-H829 PolarHBondContact O-N 3.49Å; V824-P832 HydrophobicContact CG2-CG 4.11Å
825	G	92.9	Very high	96.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.196	C	C	.	.	I	π-helix	trans	-67.3	-27.8	-178.8	0	0	0	0	0	114.6	S618 T619 A821 T822 H829	S618-G825 VanDerWaalsContact CA-O 3.32Å; S618-G825 WeakPolarHBondContact CA-O 3.37Å; T619-G825 PolarHBondContact N-O 2.65Å; T619-G825 PolarHBondContact OG1-O 3.24Å; A821-G825 PolarHBondContact O-N 3.37Å; T822-G825 PolarHBondContact O-N 2.88Å; G825-H829 PolarHBondContact O-CE1 2.92Å; G825-H829 PolarHBondContact O-ND1 3.28Å
826	T	92.1	Very high	96.2	Very high	52 Å²	52	33.4 Å²	33.4	32%	0.319	19%	0.186	S	C	.	.	I	π-helix	trans	-102.3	-32.8	-173.8	-47.9	0	0	0	0	113.5	T619 T822 V824 H829	T619-T826 HydrophobicContact CG2-CG2 4.13Å; T822-T826 WeakPolarHBondContact O-CB 3.32Å; T822-T826 PolarHBondContact O-N 3.5Å; T822-T826 PolarHBondContact O-OG1 3.4Å; V824-T826 VanDerWaalsContact C-N 3.32Å; V824-T826 PolarHBondContact O-N 2.94Å; T826-H829 PolarHBondContact O-CE1 2.97Å; T826-H829 PolarHBondContact O-NE2 2.96Å
827	N	94.8	Very high	96.1	Very high	25 Å²	25	35 Å²	35	13%	0.134	19%	0.193	C	C	.	.	I	π-helix	trans	-125.6	-41.8	-168.6	-57.1	108.2	0	0	0	114.1	Y551 S552 L823	Y551-N827 WeakPolarHBondContact CD1-ND2 3.32Å; Y551-N827 HydrophobicContact CE1-CB 4.29Å; S552-N827 PolarHBondContact OG-ND2 3.14Å; L823-N827 HydrophobicContact CD1-CB 4.14Å; L823-N827 WeakPolarHBondContact O-CA 3.48Å; L823-N827 WeakPolarHBondContact O-CB 3.35Å; L823-N827 PolarHBondContact O-N 2.95Å
828	L	96.4	Very high	96.1	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.204	C	C	.	.	I	π-helix	trans	-84.6	-42	-175	-54.7	-179.2	0	0	0	112.4	K555 K556 Y559 V560 L823 V824 S830 P832	K555-L828 VanDerWaalsContact C-CD2 3.45Å; K555-L828 HydrophobicContact CB-CD2 3.69Å; K555-L828 WeakPolarHBondContact O-CD2 3.44Å; K556-L828 HydrophobicContact CB-CD2 4.48Å; Y559-L828 HydrophobicContact CD2-CD1 4.34Å; Y559-L828 HydrophobicContact CD2-CD2 4.34Å; V560-L828 HydrophobicContact CG2-CB 4.16Å; V560-L828 HydrophobicContact CG2-CD1 4.45Å; V560-L828 HydrophobicContact CG2-CD2 4.4Å; L823-L828 HydrophobicContact CD2-CD1 4.28Å; L823-L828 HydrophobicContact CG-CD1 4.13Å; L823-L828 HydrophobicContact CG-CG 4.18Å; L823-L828 PolarHBondContact O-N 2.68Å; L823-L828 VanDerWaalsContact O-N 3.11Å; V824-L828 HydrophobicContact CG2-CD1 3.99Å; V824-L828 PolarHBondContact O-N 2.76Å; L828-S830 PolarHBondContact O-N 3.33Å; L828-S830 VanDerWaalsContact O-N 3.11Å; L828-P832 HydrophobicContact CD1-CG 3.77Å
829	H	94.4	Very high	96.2	Very high	45 Å²	45	37.3 Å²	37.3	21%	0.208	20%	0.203	C	C	.	.			trans	51.3	27.6	-173.1	-51.6	-61	0	0	0	113.9	T619 Y626 V824 G825 T826	T619-H829 PolarHBondContact OG1-CE1 3.2Å; T619-H829 VanDerWaalsContact OG1-CE1 3.28Å; Y626-H829 VanDerWaalsContact OH-C 3.25Å; Y626-H829 PolarHBondContact OH-O 3.39Å; V824-H829 WeakPolarHBondContact O-CA 3.41Å; V824-H829 PolarHBondContact O-N 3.49Å; G825-H829 PolarHBondContact O-CE1 2.92Å; G825-H829 PolarHBondContact O-ND1 3.28Å; T826-H829 PolarHBondContact O-CE1 2.97Å; T826-H829 PolarHBondContact O-NE2 2.96Å
830	S	94.8	Very high	96.2	Very high	40 Å²	40	35.1 Å²	35.1	28%	0.28	19%	0.194	S	C	.	.	S	Bend	trans	-162.5	155.7	-178.1	-62	0	0	0	0	108.9	L828	L828-S830 PolarHBondContact O-N 3.33Å; L828-S830 VanDerWaalsContact O-N 3.11Å
831	I	96	Very high	96.2	Very high	81 Å²	81	35.4 Å²	35.4	42%	0.415	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-71.6	130	-179.9	-57.7	177.7	0	0	0	109.2
832	P	97.6	Very high	96.3	Very high	8 Å²	8	35.5 Å²	35.5	5%	0.052	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-64.4	157.7	174	-22	34.8	0	0	0	113.1	Y559 V824 L828 Y841	Y559-P832 CarbonylContact O-C 3.54Å; Y559-P832 WeakPolarHBondContact O-CA 3.28Å; V824-P832 HydrophobicContact CG2-CG 4.11Å; L828-P832 HydrophobicContact CD1-CG 3.77Å; P832-Y841 HydrophobicContact CB-CE2 3.85Å; P832-Y841 HydrophobicContact CG-CE2 3.93Å; P832-Y841 WeakPolarHBondContact CG-OH 3.21Å
833	Q	97.9	Very high	96.4	Very high	94 Å²	94	33.1 Å²	33.1	44%	0.439	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-61.7	138	175.5	-71	-73.6	-13.4	0	0	112.4	Y559 V560 R562 A563 A835 L836	Y559-Q833 PolarHBondContact O-N 2.98Å; V560-Q833 WeakPolarHBondContact O-CG 3.36Å; V560-Q833 PolarHBondContact O-NE2 2.99Å; R562-Q833 WeakPolarHBondContact O-CG 3.34Å; A563-Q833 HydrophobicContact CB-CB 3.94Å; A563-Q833 HydrophobicContact CB-CG 4.4Å; Q833-A835 PolarHBondContact O-N 3.33Å; Q833-L836 PolarHBondContact O-N 3.19Å
834	N	95.9	Very high	96.4	Very high	92 Å²	92	34.5 Å²	34.5	49%	0.492	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-65.5	-21.5	-176.9	-65.2	-11.5	0	0	0	113.4	L836 E837	N834-L836 PolarHBondContact O-N 3.16Å; N834-E837 HydrophobicContact CB-CG 4.33Å; N834-E837 WeakPolarHBondContact O-CB 3.37Å; N834-E837 WeakPolarHBondContact O-CG 3.15Å; N834-E837 PolarHBondContact O-N 2.96Å; N834-E837 PolarHBondContact OD1-OE1 3.27Å
835	A	96.9	Very high	96.3	Very high	77 Å²	77	36.3 Å²	36.3	64%	0.636	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-61.6	-12.7	176.5	0	0	0	0	0	113.8	A563 Q833	A563-A835 HydrophobicContact CB-CB 3.84Å; Q833-A835 PolarHBondContact O-N 3.33Å
836	L	97.4	Very high	96.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-95.7	-2.3	178.5	-62.2	175.7	0	0	0	113.8	Y559 A563 P565 Q833 N834 K838 K839 Y841	Y559-L836 HydrophobicContact CD1-CD1 3.96Å; Y559-L836 HydrophobicContact CG-CD1 4.27Å; A563-L836 HydrophobicContact CB-CD2 4.49Å; A563-L836 HydrophobicContact CB-CG 4.27Å; A563-L836 WeakPolarHBondContact O-CD2 3.4Å; P565-L836 HydrophobicContact CG-CD2 4.09Å; Q833-L836 PolarHBondContact O-N 3.19Å; N834-L836 PolarHBondContact O-N 3.16Å; L836-K838 PolarHBondContact O-N 3.35Å; L836-K839 HydrophobicContact CD2-CD 4.28Å; L836-K839 PolarHBondContact O-N 2.72Å; L836-Y841 HydrophobicContact CB-CD1 3.51Å; L836-Y841 HydrophobicContact CB-CE1 3.74Å; L836-Y841 HydrophobicContact CB-CG 3.96Å; L836-Y841 HydrophobicContact CD1-CD1 4.36Å; L836-Y841 HydrophobicContact CD1-CD2 3.96Å; L836-Y841 HydrophobicContact CD1-CE2 4.36Å; L836-Y841 HydrophobicContact CD1-CG 3.96Å; L836-Y841 HydrophobicContact CG-CD1 4.45Å; L836-Y841 HydrophobicContact CG-CG 4.44Å; L836-Y841 WeakPolarHBondContact O-CD1 3.26Å
837	E	97.1	Very high	96.8	Very high	33 Å²	33	37.5 Å²	37.5	15%	0.154	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-29.7	-169.3	-75.2	173	155.9	0	0	114.2	F642 S643 K664 N834	F642-E837 CarbonylContact C-O 3.59Å; F642-E837 WeakPolarHBondContact CA-O 3.34Å; F642-E837 HydrophobicContact CD2-CB 3.85Å; F642-E837 HydrophobicContact CE2-CB 3.62Å; F642-E837 HydrophobicContact CE2-CG 3.94Å; F642-E837 WeakPolarHBondContact CE2-OE2 3.4Å; F642-E837 HydrophobicContact CZ-CB 4.43Å; F642-E837 HydrophobicContact CZ-CG 4.35Å; S643-E837 PolarHBondContact N-O 3.2Å; S643-E837 WeakPolarHBondContact O-CG 3.44Å; S643-E837 PolarHBondContact OG-O 3.47Å; K664-E837 VanDerWaalsContact CE-OE1 3.3Å; K664-E837 WeakPolarHBondContact CE-OE1 3.49Å; K664-E837 IonicContact NZ-OE1 3.67Å; K664-E837 PolarHBondContact NZ-OE1 2.87Å; N834-E837 HydrophobicContact CB-CG 4.33Å; N834-E837 WeakPolarHBondContact O-CB 3.37Å; N834-E837 WeakPolarHBondContact O-CG 3.15Å; N834-E837 PolarHBondContact O-N 2.96Å; N834-E837 PolarHBondContact OD1-OE1 3.27Å
838	K	97.1	Very high	96.9	Very high	53 Å²	53	38.3 Å²	38.3	23%	0.23	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	5.6	179.2	-68.4	-64.1	-52	-162.3	0	114.8	T640 Y641 F642 Q668 E672 L836	T640-K838 PolarHBondContact OG1-NZ 3.38Å; Y641-K838 WeakPolarHBondContact O-CE 3.36Å; F642-K838 HydrophobicContact CB-CD 4.32Å; F642-K838 HydrophobicContact CD2-CD 4.37Å; Q668-K838 HydrophobicContact CG-CD 4.11Å; E672-K838 WeakPolarHBondContact OE1-CD 2.82Å; E672-K838 WeakPolarHBondContact OE1-CE 3.42Å; E672-K838 IonicContact OE1-NZ 2.96Å; E672-K838 PolarHBondContact OE1-NZ 2.86Å; E672-K838 IonicContact OE2-NZ 2.61Å; E672-K838 PolarHBondContact OE2-NZ 3.02Å; L836-K838 PolarHBondContact O-N 3.35Å
839	K	97.6	Very high	96.9	Very high	65 Å²	65	40.8 Å²	40.8	28%	0.283	22%	0.22	S	C	.	.	S	Bend	trans	-115.9	151.7	-177.1	-66.4	176.8	178.8	176.7	0	111	P565 K593 L836 Y841	P565-K839 HydrophobicContact CG-CD 4Å; K593-K839 WeakPolarHBondContact O-CD 3.44Å; L836-K839 HydrophobicContact CD2-CD 4.28Å; L836-K839 PolarHBondContact O-N 2.72Å; K839-Y841 VanDerWaalsContact O-CD1 3.27Å; K839-Y841 WeakPolarHBondContact O-CD1 3.44Å; K839-Y841 PolarHBondContact O-N 3.25Å
840	F	98.1	Very high	97.1	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.026	22%	0.221	C	C	.	.			trans	-85.1	46.1	171.6	-64.8	-79.4	0	0	0	112.4	C592 Y641 Y802 Y816 Y842 L843	C592-F840 HydrophobicContact CB-CB 3.87Å; C592-F840 HydrophobicContact CB-CD2 3.92Å; C592-F840 HydrophobicContact CB-CG 4.2Å; C592-F840 WeakPolarHBondContact O-CB 3.43Å; C592-F840 WeakPolarHBondContact O-CD2 3.27Å; C592-F840 PolarHBondContact O-N 3.07Å; Y641-F840 AromaticContact CD2-CE1 3.93Å; Y641-F840 HydrophobicContact CD2-CE1 3.93Å; Y641-F840 HydrophobicContact CD2-CE2 4.06Å; Y641-F840 AromaticContact CD2-CZ 3.2Å; Y641-F840 HydrophobicContact CD2-CZ 3.2Å; Y641-F840 AromaticContact CE2-CZ 3.74Å; Y641-F840 HydrophobicContact CE2-CZ 3.74Å; Y641-F840 HydrophobicContact CG-CE1 4.11Å; Y641-F840 AromaticContact CG-CZ 3.82Å; Y641-F840 HydrophobicContact CG-CZ 3.82Å; Y802-F840 HydrophobicContact CD2-CD2 4.45Å; Y802-F840 AromaticContact CD2-CE2 3.81Å; Y802-F840 HydrophobicContact CD2-CE2 3.81Å; Y802-F840 AromaticContact CD2-CZ 3.82Å; Y802-F840 HydrophobicContact CD2-CZ 3.82Å; Y802-F840 AromaticContact CE2-CE2 3.73Å; Y802-F840 HydrophobicContact CE2-CE2 3.73Å; Y802-F840 AromaticContact CE2-CZ 3.65Å; Y802-F840 HydrophobicContact CE2-CZ 3.65Å; Y816-F840 HydrophobicContact CD1-CD1 4.05Å; Y816-F840 HydrophobicContact CD1-CE1 4.01Å; Y816-F840 HydrophobicContact CD2-CE1 4.08Å; Y816-F840 AromaticContact CE1-CD1 3.74Å; Y816-F840 HydrophobicContact CE1-CD1 3.74Å; Y816-F840 AromaticContact CE1-CE1 3.59Å; Y816-F840 HydrophobicContact CE1-CE1 3.59Å; Y816-F840 AromaticContact CE2-CE1 3.71Å; Y816-F840 HydrophobicContact CE2-CE1 3.71Å; Y816-F840 HydrophobicContact CE2-CZ 4.28Å; Y816-F840 HydrophobicContact CG-CE1 4.24Å; Y816-F840 AromaticContact CZ-CE1 3.42Å; Y816-F840 VanDerWaalsContact CZ-CE1 3.42Å; F840-Y842 HydrophobicContact CD1-CE2 4.46Å; F840-Y842 AromaticContact CD1-CZ 3.94Å; F840-Y842 WeakPolarHBondContact CD1-OH 3.5Å; F840-Y842 PolarHBondContact O-N 2.88Å; F840-Y842 VanDerWaalsContact O-N 3.09Å; F840-L843 HydrophobicContact CB-CD1 3.75Å; F840-L843 HydrophobicContact CB-CG 3.99Å; F840-L843 HydrophobicContact CD1-CD1 4.41Å; F840-L843 HydrophobicContact CG-CD1 4.24Å; F840-L843 PolarHBondContact O-N 3.16Å
841	Y	98.3	Very high	97.3	Very high	6 Å²	6	40.5 Å²	40.5	2%	0.024	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.3	-174.6	65.7	-84.8	0	0	0	113.4	Y559 L820 P832 L836 K839	Y559-Y841 HydrophobicContact CD1-CD2 4.3Å; Y559-Y841 AromaticContact CD2-CD2 3.78Å; Y559-Y841 HydrophobicContact CD2-CD2 3.78Å; Y559-Y841 HydrophobicContact CD2-CE2 4.27Å; Y559-Y841 HydrophobicContact CE1-CD2 4.48Å; Y559-Y841 AromaticContact CE2-CD2 3.87Å; Y559-Y841 HydrophobicContact CE2-CD2 3.87Å; Y559-Y841 WeakPolarHBondContact CE2-O 3.1Å; Y559-Y841 AromaticContact CG-CD2 3.99Å; Y559-Y841 HydrophobicContact CG-CD2 3.99Å; Y559-Y841 VanDerWaalsContact CZ-O 3.24Å; Y559-Y841 PolarHBondContact OH-O 2.85Å; L820-Y841 HydrophobicContact CD1-CE2 4.14Å; L820-Y841 WeakPolarHBondContact CD1-OH 3.41Å; P832-Y841 HydrophobicContact CB-CE2 3.85Å; P832-Y841 HydrophobicContact CG-CE2 3.93Å; P832-Y841 WeakPolarHBondContact CG-OH 3.21Å; L836-Y841 HydrophobicContact CB-CD1 3.51Å; L836-Y841 HydrophobicContact CB-CE1 3.74Å; L836-Y841 HydrophobicContact CB-CG 3.96Å; L836-Y841 HydrophobicContact CD1-CD1 4.36Å; L836-Y841 HydrophobicContact CD1-CD2 3.96Å; L836-Y841 HydrophobicContact CD1-CE2 4.36Å; L836-Y841 HydrophobicContact CD1-CG 3.96Å; L836-Y841 HydrophobicContact CG-CD1 4.45Å; L836-Y841 HydrophobicContact CG-CG 4.44Å; L836-Y841 WeakPolarHBondContact O-CD1 3.26Å; K839-Y841 VanDerWaalsContact O-CD1 3.27Å; K839-Y841 WeakPolarHBondContact O-CD1 3.44Å; K839-Y841 PolarHBondContact O-N 3.25Å
842	Y	97.9	Very high	97.4	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.008	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-7.2	-176.1	52.4	-94.6	0	0	0	115	I630 Y816 K819 L820 F840	I630-Y842 HydrophobicContact CD1-CE1 4.29Å; I630-Y842 WeakPolarHBondContact CD1-OH 3.33Å; Y816-Y842 AromaticContact CD1-CE2 3.85Å; Y816-Y842 HydrophobicContact CD1-CE2 3.85Å; Y816-Y842 HydrophobicContact CG-CE2 4.29Å; K819-Y842 HydrophobicContact CB-CD2 4.3Å; K819-Y842 HydrophobicContact CG-CD2 4.15Å; K819-Y842 WeakPolarHBondContact CG-O 3.49Å; K819-Y842 PolarHBondContact NZ-O 3.47Å; L820-Y842 HydrophobicContact CB-CD1 4.16Å; L820-Y842 HydrophobicContact CB-CD2 3.93Å; L820-Y842 HydrophobicContact CB-CE2 4.32Å; L820-Y842 HydrophobicContact CB-CG 3.84Å; L820-Y842 HydrophobicContact CD1-CD1 3.86Å; L820-Y842 HydrophobicContact CD1-CG 3.92Å; L820-Y842 HydrophobicContact CD2-CD1 4.08Å; L820-Y842 HydrophobicContact CD2-CE1 4.17Å; L820-Y842 HydrophobicContact CG-CD1 4.26Å; L820-Y842 HydrophobicContact CG-CG 4.31Å; F840-Y842 HydrophobicContact CD1-CE2 4.46Å; F840-Y842 AromaticContact CD1-CZ 3.94Å; F840-Y842 WeakPolarHBondContact CD1-OH 3.5Å; F840-Y842 PolarHBondContact O-N 2.88Å; F840-Y842 VanDerWaalsContact O-N 3.09Å
843	L	96.8	Very high	97.4	Very high	10 Å²	10	39.8 Å²	39.8	5%	0.052	21%	0.213	C	C	.	.			trans	-63.8	0	170.3	-67.4	-176.4	0	0	0	109.8	Q589 C592 K593 Y801 N803 Y816 K819 F840	Q589-L843 HydrophobicContact CG-CB 4.19Å; Q589-L843 PolarHBondContact NE2-O 2.9Å; Q589-L843 PolarHBondContact NE2-OXT 2.77Å; C592-L843 HydrophobicContact CB-CD1 3.98Å; K593-L843 WeakPolarHBondContact CE-OXT 3.4Å; K593-L843 PolarHBondContact NZ-OXT 2.83Å; Y801-L843 HydrophobicContact CE2-CD2 3.91Å; N803-L843 HydrophobicContact CB-CD2 4.19Å; Y816-L843 HydrophobicContact CD1-CD2 3.97Å; Y816-L843 HydrophobicContact CE1-CD1 4.16Å; Y816-L843 HydrophobicContact CE1-CD2 3.9Å; Y816-L843 HydrophobicContact CE1-CG 4.42Å; K819-L843 WeakPolarHBondContact CE-O 3.4Å; K819-L843 HydrophobicContact CG-CD2 4.36Å; K819-L843 PolarHBondContact NZ-O 2.73Å; F840-L843 HydrophobicContact CB-CD1 3.75Å; F840-L843 HydrophobicContact CB-CG 3.99Å; F840-L843 HydrophobicContact CD1-CD1 4.41Å; F840-L843 HydrophobicContact CG-CD1 4.24Å; F840-L843 PolarHBondContact O-N 3.16Å

Retrieved 843 of 843 residues in 2061.5 ms (Link to these results)

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